Freye, Chris E. et al. published their research in Journal of Chromatography A in 2018 | CAS: 638-02-8

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is relatively a stable molecule. The core structure is a part of various pharmaceutical substances and natural products. It has been used as a raw material for the synthesis of biologically active structures and is found in pharmaceuticals such as leukotriene synthesis inhibitors and antifungals, as well as in many natural products.Electric Literature of C6H8S

Enhancing the chemical selectivity in discovery-based analysis with tandem ionization time-of-flight mass spectrometry detection for comprehensive two-dimensional gas chromatography was written by Freye, Chris E.;Moore, Nicholas R.;Synovec, Robert E.. And the article was included in Journal of Chromatography A in 2018.Electric Literature of C6H8S The following contents are mentioned in the article:

The complementary information provided by tandem ionization time-of-flight mass spectrometry (TI-TOFMS) was studied for comparative discovery-based anal., when coupled with comprehensive two-dimensional gas chromatog. (GC × GC). The TI conditions implemented were a hard ionization energy (70 eV) concurrently collected with a soft ionization energy (14 eV). Tile-based Fisher ratio (F-ratio) anal. was used to analyze diesel fuel spiked with twelve analytes at a nominal concentration of 50 ppm. F-ratio anal. is a supervised discovery-based technique that compares two different sample classes, in this case spiked and unspiked diesel, to reduce the complex GC × GC-TI-TOFMS data into a hit list of class distinguishing analyte features. Hit lists of the 70 eV and 14 eV data sets, and the single hit list produced when the two data sets are fused together, are all studied. For the 70 eV hit list, eleven of the twelve analytes were found in the top thirteen hits. For the 14 eV hit list, nine of the twelve analytes were found in the top nine hits, with the other three analytes either not found or well down the hit list. As expected, the F-ratios per m/z used to calculate each average F-ratio per hit were generally smaller fragment ions for the 70 eV data set, while the larger fragment ions were emphasized in the 14 eV data set, supporting the notion that complementary information was provided. The discovery rate was improved when F-ratio anal. was performed on the fused data sets resulted in eleven of the twelve analytes being at the top of the single hit list. Using PARAFAC, analytes that were discovered were deconvoluted to obtain their identification via match values (MV). Location of the analytes and the F-ratio spectra obtained from F-ratio anal. were used to guide the deconvolution. Eight of the twelve analytes where successfully deconvoluted and identified using the inhouse library for the 70 eV data set. PARAFAC deconvolution of the two sep. data sets provided increased confidence in identification of discovered analytes. Herein, the authors explore the limit of analyte discovery and limit of analyte identification, and demonstrate a general workflow for the study of key chem. features in complex samples. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Electric Literature of C6H8S).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is relatively a stable molecule. The core structure is a part of various pharmaceutical substances and natural products. It has been used as a raw material for the synthesis of biologically active structures and is found in pharmaceuticals such as leukotriene synthesis inhibitors and antifungals, as well as in many natural products.Electric Literature of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

 

Zhang, Yuhao et al. published their research in Separation and Purification Technology in 2021 | CAS: 638-02-8

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophenes are valuable heterocycles that are widely used in medicines, agrochemicals, and materials science. The different substitution patterns in these heterocycles offer new opportunities for drug discovery and other applications in materials science.Recommanded Product: 2,5-Dimethylthiophene

Fundamental research on the influence of mercaptan and thioether structure on the solvent extraction of fluid catalytic cracking naphtha was written by Zhang, Yuhao;Liu, Mengqi;Liu, Mengmeng;Zhao, Liang;Gao, Jinsen;Xu, Chunming;Gao, Xuhui;Liu, Xiangqi. And the article was included in Separation and Purification Technology in 2021.Recommanded Product: 2,5-Dimethylthiophene The following contents are mentioned in the article:

The thioether and mercaptan components (over 50-100 mg/kg) of fluid catalytic cracking (FCC) naphtha must be removed to satisfy the rigorous sulfur content standard of the vehicle gasoline. Owing to the difference between the structures of thioether and mercaptan and that of thiophenic sulfur, the desulfurization process is usually divided. A serious loss of octane number (ON) occurs during typical desulfurization when the sulfur content is reduced to 10 mg/kg. With the oriented separation of FCC naphtha critical components process, the standard of sulfur content with losing 1 unit of ON can be satisfied. However, thioether and mercaptan require individual technologies for removal. Thioether, mercaptan, and thiophenic sulfur must be synchronously removed to improve the efficiency, simplify the technol., and reduce the energy consumption. In this study, quantum chem. calculation and ternary liquid-liquid equilibrium experiment were combined to investigate the effect of thioether and mercaptan structures on the sulfoxide solvent extraction performance. The results showed that the Van der Waals′ force was the main interaction between the thioether/mercaptan and the solvent because the peaks of solvent and sulfide by RDG anal. were located at -0.01 to 0.01 a.u. In addition, the dipole moment, steric hindrance, and displacement affected the solvent extraction performance. The selectivity coefficient θ of C3 thioether and mercaptan was 5.80 and 6.48 by DMSO solvent, resp., which were greater than those of C4 sulfides (4.48 and 5.56). The interaction energy Eint of DMSO-Et Me sulfide and DMSO- propanethiol were -32.75 and -33.68 kJ/mol while DMSO-diethyl sulfide and DMSO- butanethiol were -24.72 and -29.20 kJ/mol. It also proves that the C3 thioether and mercaptan could better extract into the solvent. In this way, the extractive desulfurization rate of the real FCC naphtha by DMSO was 80%. Therefore, the use of sulfoxide composite solvent can simultaneously extract the thioether, mercaptan, and thiophenic sulfur. This anal. method could be used to predict the synchronous extraction performance for FCC naphtha sulfides by other typical solvents. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Recommanded Product: 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophenes are valuable heterocycles that are widely used in medicines, agrochemicals, and materials science. The different substitution patterns in these heterocycles offer new opportunities for drug discovery and other applications in materials science.Recommanded Product: 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

 

Kong, Ming et al. published their research in New Journal of Chemistry in 2020 | CAS: 638-02-8

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene finds use in research as a starting material for the synthesis of larger, usually bioactive structures. The different substitution patterns in these heterocycles offer new opportunities for drug discovery and other applications in materials science.Electric Literature of C6H8S

Switchable slow relaxation of magnetization in photochromic dysprosium(III) complexes manipulated by a dithienylethene ligand was written by Kong, Ming;Feng, Xin;Li, Jing;Wang, Jia;Zhang, Yi-Quan;Song, You. And the article was included in New Journal of Chemistry in 2020.Electric Literature of C6H8S The following contents are mentioned in the article:

The photochromic and magnetic properties of two dithienylethene (DTE)-based complexes, [Dy(NO3)3(Lo)2(MeOH)] (1o) and [Dy(NO3)3(Lo)3] (2o) (Lo = 4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dimethyl-1,3-dihydro-2H-imidazol-2-one), were exptl. studied in detail with the help of theor. calculations Both complexes exhibit an instantaneous and strong reversible photochromic response to UV/visible irradiation, as evidenced from spectroscopic tests, and complex 1o behaves as a typical field-induced single-mol. magnet (SMM). By controlling the reaction ratio of Lo and Dy(NO)3, Lo replacing a coordinated MeOH mol. in 1o gave complex 2o, whose single-mol. behavior is off. Upon irradiation with 254 nm light, the SMM properties of 1o deteriorate with the energy barrier decreasing from 68.1 to 44.3 K while the magnetic dynamics of complex 2o shows no response to irradiation Ab initio calculations reveal that the quantum tunnelling of magnetization between the ground Kramers doublets in 2o is quite strong, leading to the disappearance of SMM behavior. For complex 1o, the strong magnetic anisotropy and moderate quantum tunnelling of magnetization relative to 2o give rise to an appropriate energy barrier for SMM. However, the decrease in energy barriers for 1o after irradiation results from the weakening of magnetic anisotropy, which is caused by the stronger charge delocalization of the coordinated carbonyl O atom of the ring-closed DTE ligand. By regulating the reactant ratio, two photochromic DTE-based Dy(III) complexes were obtained and the SMM properties of complex 1o can be tuned by the light-induced isomerization of the dithienylethene ligand. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Electric Literature of C6H8S).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene finds use in research as a starting material for the synthesis of larger, usually bioactive structures. The different substitution patterns in these heterocycles offer new opportunities for drug discovery and other applications in materials science.Electric Literature of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

 

Bregante, Daniel T. et al. published their research in Journal of Catalysis in 2018 | CAS: 638-02-8

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophenes are valuable heterocycles that are widely used in medicines, agrochemicals, and materials science. The different substitution patterns in these heterocycles offer new opportunities for drug discovery and other applications in materials science.COA of Formula: C6H8S

Catalytic thiophene oxidation by groups 4 and 5 framework-substituted zeolites with hydrogen peroxide: Mechanistic and spectroscopic evidence for the effects of metal Lewis acidity and solvent Lewis basicity was written by Bregante, Daniel T.;Patel, Ami Y.;Johnson, Alayna M.;Flaherty, David W.. And the article was included in Journal of Catalysis in 2018.COA of Formula: C6H8S The following contents are mentioned in the article:

Group 4 (Ti and Zr) and 5 (Nb and Ta) atoms substituted into the *BEA zeolite framework (M-BEA) irreversibly activate hydrogen peroxide (H2O2) and form pools of metal-hydroperoxide (M-OOH) and peroxide (M-(η2-O2)) intermediates active for the oxidation of 2,5-dimethylthiophene (C6H8S), a model reactant representative of organosulfur species in fossil reserves and chem. weapons. Sequential oxidation pathways convert C6H8S into 2,5-dimethylthiophene oxide (C6H8SO) and subsequently into 2,5-dimethylthiophene dioxide by oxidative dearomatization. Oxidation rates measured as functions of reactant concentrations together with in situ UV-visible spectra show that all M-BEA activate H2O2 to form pools of M-OOH and M-(η2-O2), which then react with either C6H8S or H2O2 to form the sulfoxide or to decompose into H2O and O2, resp. Turnover rates for C6H8S oxidation and H2O2 decomposition both increase exponentially with the electron affinity of the active site, which is quant. probed via the adsorption enthalpy for deuterated acetonitrile to active sites. C6H8S oxidation rates depend also on the nucleophilicity of the solvent used, and rates decrease in the order acetonitrile > p-dioxane ∼ acetone > ethanol ∼ methanol. In situ UV-visible spectra show that highly nucleophilic solvent mols. compete effectively for active sites, inhibit H2O2 activation and formation of reactive M-OOH and M-(η2-O2) species, and give lower turnover rates. Consequently, this work shows that turnover rates for sulfoxidation are highest when highly electrophilic active sites (i.e., stronger Lewis acids) are paired with weakly nucleophilic solvents, which can guide the design of increasingly productive catalytic systems for sulfide oxidation This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8COA of Formula: C6H8S).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophenes are valuable heterocycles that are widely used in medicines, agrochemicals, and materials science. The different substitution patterns in these heterocycles offer new opportunities for drug discovery and other applications in materials science.COA of Formula: C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

 

Jiang, Bolong et al. published their research in Journal of Cleaner Production in 2021 | CAS: 638-02-8

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is a fused ring compound of thiophene ring and benzene ring, which is an important class of heterocycles with advantageous structures. It has been used as a raw material for the synthesis of biologically active structures and is found in pharmaceuticals such as leukotriene synthesis inhibitors and antifungals, as well as in many natural products.Synthetic Route of C6H8S

Ultra-deep adsorptive removal over hierarchically structured AgCeY zeolite from model gasoline with high competitor content was written by Jiang, Bolong;Zhu, Tianhan;Jiang, Nan;Gong, Mingyue;Yang, Gang;Li, Feng;Song, Hua;Hao, Tianzhen. And the article was included in Journal of Cleaner Production in 2021.Synthetic Route of C6H8S The following contents are mentioned in the article:

Metal-ion-exchanged Y zeolites are a promising adsorptive desufurization (ADS) adsorbent. However, the ADS performance is inhibited significantly by diffusion limitations of sulfur compounds in micropores, especially when refractory sulfur compounds are present in fuels. The aim of this work was to develop a novel highly active, hierarchically structured bimetal Y zeolite and to evaluate the role of mesopores on the ADS performance from fuel oils that contained large amounts of competitors. A mesoporosity was introduced in the NaY by a top-down approach (sequential dealumination-desilication). A hierarchically structured zeolite meso-AgCeY was synthesized by introducing metals, Ag and Ce, by liquid-phase ion-exchange. The prepared meso-AgCeY was characterized and evaluated in terms of ADS performance using gasolines that contained different-sized sulfides and different amounts of toluene or cyclohexene. The adsorption strength was determined by the isosteric heat of adsorption calculations The mesopores centered around 4-30 nm was obtained for meso-AgCeY, with the preservation of the original zeolite structure. Mesopore introduction suppressed the diffusion limitation of sulfur compounds effectively. In addition, transition metal Ag and rare earth metal Ce cations, which can bind organic sulfur compounds through π-complexation and sulfur-metal interaction, resp., provided the meso-AgCeY with a high ADS performance. The meso-AgCeY showed a thiophene ADS capacity of 4.4 or 4.1 times more than that of microporous AgCeY for gasolines that contained large amounts of toluene or cyclohexene, resp. This result may occur because of the suppression of the non-selective mol. adsorption, improvement in mass transfer, full use of active metal sites and strong adsorption energy related with the mesopore introduction. The meso-AgCeY, which combined multiple adsorption metal ions and modified Y zeolite with mesopores, is a promising ADS adsorbent. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Synthetic Route of C6H8S).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is a fused ring compound of thiophene ring and benzene ring, which is an important class of heterocycles with advantageous structures. It has been used as a raw material for the synthesis of biologically active structures and is found in pharmaceuticals such as leukotriene synthesis inhibitors and antifungals, as well as in many natural products.Synthetic Route of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

 

Della-Negra, Oriane et al. published their research in ACS Omega in 2021 | CAS: 638-02-8

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene scaffolds are of great importance due to its increased presence in bioactive molecules. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, sertaconazole, and also BTCP.Recommanded Product: 2,5-Dimethylthiophene

Microbiological versus Chemical Reductive Sulfidation: An Experimental and Theoretical Study was written by Della-Negra, Oriane;Le Cacher de Bonneville, Brieuc;Chaussonnerie, Sebastien;Le Paslier, Denis;Frison, Gilles;Saaidi, Pierre-Loic. And the article was included in ACS Omega in 2021.Recommanded Product: 2,5-Dimethylthiophene The following contents are mentioned in the article:

Microbiol. reductive sulfidation (RS) has rarely been documented, although it represents an efficient strategy for thiol formation. In this work, we reported on the sulfate-respiring bacterium Desulfovibrio sp.86 that has previously demonstrated RS activity toward the pesticide chlordecone. The purpose of this study was to assess its substrate versatility using a set of 28 carbonyls, to compare with chem. RS and to rationalize the observed trends using a dual exptl. and theor. approach. The chem. RS generally proceeds in two steps (S/O exchange using a sulfur donor like P4S10, reduction of the thione intermediate). Intriguingly, chlordecone was found to be converted into chlordecthiol following the first step. Hence, we designed a protocol and applied it to the 28 substrates to assess their propensity to be directly converted into thiols with the P4S10 treatment alone. Finally, we performed d. functional theory calculations on these carbonyls and their thiocarbonyl derivatives to build a set of structural, electronic, and thermodn. parameters. The results showed that chem. and microbiol. RS probably involved two distinct mechanisms. Chem., we observed that several carbonyls, possessing electron-withdrawing groups and/or aromatic rings, were directly transformed into thiols in the presence of P4S10. The correlation obtained with the electron affinity of the thiones led us to conclude that a probable single-electron reductive transfer occurred during the first step. We also found that Desulfovibrio sp.86 transformed a variety of aldehydes and ketones, without ever detecting thiones. No significant correlation was observed with the calculated parameters, but a relationship between aldehyde RS biotransformation and bacterial growth was observed Differences in selectivity with chem. RS open the way for further applications in organic synthesis. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Recommanded Product: 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene scaffolds are of great importance due to its increased presence in bioactive molecules. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, sertaconazole, and also BTCP.Recommanded Product: 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

 

Raza, Ali et al. published their research in Food & Function in 2020 | CAS: 638-02-8

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene scaffolds are of great importance due to its increased presence in bioactive molecules. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, sertaconazole, and also BTCP.Product Details of 638-02-8

Formation of beef-like odorants from glutathione-enriched yeast extract via Maillard reaction was written by Raza, Ali;Song, Huanlu;Raza, Junaid;Li, Pei;Li, Ku;Yao, Juan. And the article was included in Food & Function in 2020.Product Details of 638-02-8 The following contents are mentioned in the article:

The application of yeast extract (YE) in foods has widely evolved in recent decades. Generally, YE is added to foods because of its characteristic meaty and savory flavor notes. The composition of YE has made it an important ingredient for the production of meat-like flavors. This study focuses on the simulation of beef-like odorants from yeast extract through the Maillard reaction. Addnl., an optimization process was conducted via the central composite design (CCD) to optimize the Maillard reaction conditions. Glutathione-enriched yeast extract (GSH-YE) was utilized as the precursor with the partial addition of cysteine and ribose to form beef-like aroma compounds The key odorants generated through the Maillard reaction were characterized via HS-SPME-GCMS and the contents of the Maillard precursors were analyzed via HPLC. The optimized conditions produced numerous pyrazines, furans, thiazoles, and sulfur- and nitrogen-containing compounds responsible for mimicking beef-like aromas. 2,5-Dimethyl-furan, 2,5-dimethyl-pyrazine, thiazole, 2-methyl-3-furanthiol, di-Me trisulfide, 3,5-diethyl-2-methyl-pyrazine, 3,3-dithiobis[2-methyl-furan] and 2-methyl-3-(methylthio) furan were the predominant odorants generated through the Maillard reaction. Moreover, the individual effect of initial pH and thermal temperature showed dramatic changes in the overall volatile profile. The content of cysteine and other amino acids decreased rapidly at higher thermal temperatures The amount of larger peptides (1500-5000 Da) decreased at a thermal temperature of 160°C, while the contents of smaller peptides (<500) increased. Thus, the sensory and instrumental data validate the potential application of GSH-YE in generating beef-like odorants, and furthermore, these outcomes can aid future pragmatic studies for further insight into beef flavor chem. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Product Details of 638-02-8).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene scaffolds are of great importance due to its increased presence in bioactive molecules. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, sertaconazole, and also BTCP.Product Details of 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

 

Young, Thomas M. et al. published their research in Environmental Science & Technology in 2021 | CAS: 638-02-8

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is used as starting material for the synthesis of bioactive molecules. The core structure is a part of various pharmaceutical substances and natural products. It is also used in the manufacturing of dyes such as thioindigo.Application of 638-02-8

Identifying Toxicologically Significant Compounds in Urban Wildfire Ash Using In Vitro Bioassays and High-Resolution Mass Spectrometry was written by Young, Thomas M.;Black, Gabrielle P.;Wong, Luann;Bloszies, Clayton S.;Fiehn, Oliver;He, Guochun;Denison, Michael S.;Vogel, Christoph F. A.;Durbin-Johnson, Blythe. And the article was included in Environmental Science & Technology in 2021.Application of 638-02-8 The following contents are mentioned in the article:

Urban wildfires may generate numerous unidentified chems. of toxicity concern. Ash samples were collected from burned residences and from an undeveloped upwind reference site, following the Tubbs fire in Sonoma County, California. The solvent extracts of ash samples were analyzed using GC- and LC-high-resolution mass spectrometry (HRMS) and using a suite of in vitro bioassays for their bioactivity toward nuclear receptors [aryl hydrocarbon receptor (AhR), estrogen receptor (ER), and androgen receptor (AR)], their influence on the expression of genetic markers of stress and inflammation [interleukin-8 (IL-8) and cyclooxygenase-2 (COX-2)], and xenobiotic metabolism [cytochrome P 4501A1 (CYP1A1)]. Genetic markers (CYP1A1, IL-8, and COX-2) and AhR activity were significantly higher with wildfire samples than in solvent controls, whereas AR and ER activities generally were unaffected or reduced. The bioassay responses of samples from residential areas were not significantly different from the samples from the reference site despite differing chem. compositions Suspect and nontarget screening was conducted to identify the chems. responsible for elevated bioactivity using the multiple streams of HRMS data and open-source data anal. workflows. For the bioassay endpoint with the largest available database of pure compound results (AhR), nontarget features statistically related to whole sample bioassay response using Spearman’s rank-order correlation coefficients or elastic net regression were significantly more likely (by 10 and 15 times, resp.) to be known AhR agonists than the overall population of compounds tentatively identified by nontarget anal. The findings suggest that a combination of nontarget anal., in vitro bioassays, and statistical anal. can identify bioactive compounds in complex mixtures This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Application of 638-02-8).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is used as starting material for the synthesis of bioactive molecules. The core structure is a part of various pharmaceutical substances and natural products. It is also used in the manufacturing of dyes such as thioindigo.Application of 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

 

Reaser, Brooke C. et al. published their research in Analytical Chemistry (Washington, DC, United States) in 2017 | CAS: 638-02-8

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophenes are valuable heterocycles that are widely used in medicines, agrochemicals, and materials science. Due to its aromaticity, thiophenes do not exhibit the same properties as conventional thioethers.Application In Synthesis of 2,5-Dimethylthiophene

Using Receiver Operating Characteristic Curves To Optimize Discovery-Based Software with Comprehensive Two-Dimensional Gas Chromatography with Time-of-Flight Mass Spectrometry was written by Reaser, Brooke C.;Wright, Bob W.;Synovec, Robert E.. And the article was included in Analytical Chemistry (Washington, DC, United States) in 2017.Application In Synthesis of 2,5-Dimethylthiophene The following contents are mentioned in the article:

The authors report a quant. approach to optimize implementation of discovery-based software for comprehensive two-dimensional gas chromatog. coupled with time-of-flight mass spectrometry (GC × GC-TOFMS). The software performs a tile-based Fisher ratio (F-ratio) anal. and facilitates a supervised nontargeted anal. based upon the exptl. design to aid in the discovery of analytes with statistically different variances between sample classes. The quant. approach for software optimization uses receiver operating characteristic (ROC) curves. The area under the curve (AUC) for each ROC curve serves as a quant. metric to optimize two key algorithm parameters: the signal-to-noise ratio (S/N) threshold of the data prior to calculating F-ratios at each m/z mass channel and the number of these F-ratios per m/z used to calculate the average F-ratio of a tile. A total of 25 combinations of S/N threshold by number of m/z were studied. Fifty analytes were spiked into a diesel fuel at two concentration levels to produce two sample classes that should in principle produce 50 pos. instances in the ROC curves. The sweet spot for F-ratio anal. is a S/N threshold of 10 coupled with a maximum of the 10 most chem. selective m/z (requiring a min. of 3 m/z), corresponding to an ∼21% improvement in the discrimination of true positives relative to prior studies. This equates to an addnl. 9 true positives being discovered at a false pos. probability of 0.2 and 5 addnl. true positives being found overall. Also, optimization of these software parameters did not depend upon a priori determination of the statistically correct number of pos. instances in the sample classes. The AUC metric appears to be suitable for the evaluation of all data anal. methods that use the proper exptl. design. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Application In Synthesis of 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophenes are valuable heterocycles that are widely used in medicines, agrochemicals, and materials science. Due to its aromaticity, thiophenes do not exhibit the same properties as conventional thioethers.Application In Synthesis of 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

 

Lambertsson, Lars et al. published their research in ACS Earth and Space Chemistry in 2018 | CAS: 638-02-8

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is relatively a stable molecule. The core structure is a part of various pharmaceutical substances and natural products. It is found within the chemical structures of pharmaceutical drugs such as zileuton, raloxifene, and sertaconazole, and also BTCP.Application In Synthesis of 2,5-Dimethylthiophene

Rapid Dissolution of Cinnabar in Crude Oils at Reservoir Temperatures Facilitated by Reduced Sulfur Ligands was written by Lambertsson, Lars;Lord, Charles J.;Frech, Wolfgang;Bjoern, Erik. And the article was included in ACS Earth and Space Chemistry in 2018.Application In Synthesis of 2,5-Dimethylthiophene The following contents are mentioned in the article:

Mercury (Hg) is present in petrochem. samples, including crude oils, and the processing and use of petroleum products contribute to global Hg emissions. We present a refined theory on geochem. processes controlling Hg concentrations in crude oil by studying dissolution kinetics and solubility thermodn. of cinnabar (α-HgS(s)) in different crude oils held at reservoir temperatures In a black light crude oil, α-HgS(s) dissolved in an apparent zero-order reaction with a rate of 0.14-0.58 μmoles m-2 s-1 at 170-230 °C and an estimated activation energy of 43 kJ mol-1. For crude oil samples with a total sulfur concentration spanning 0.15-2.38% (weight/weight), the measured dissolution rate varied between 0.05 and 0.24 μmoles m-2 s-1 at 200 °C. Sep. tests showed that thiols and, to a lesser extent, organic sulfides increased the solubility of α-HgS(s) in isooctane at room temperature compared to thiophenes, disulfides, and elemental sulfur. Long-term (14 days) α-HgS(s) solubility tests in a crude oil at 200 °C generated dissolved Hg concentrations in the 0.3% (weight/weight) range. The high α-HgS(s) dissolving capacity of the crude oils was more than 2 orders of magnitude greater than the highest reported Hg concentration in crude oils globally. On the basis of the kinetic and solubility data, it was further concluded that α-HgS(s) is not stable under typical petroleum reservoir conditions and would decompose to elemental mercury (Hg0). Our results suggest that source/reservoir temperature, abundance of reduced sulfur compounds in the crude oil, and dissolved Hg0 evasion processes are principal factors controlling the ultimate Hg concentration in a specific crude oil deposit. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Application In Synthesis of 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is relatively a stable molecule. The core structure is a part of various pharmaceutical substances and natural products. It is found within the chemical structures of pharmaceutical drugs such as zileuton, raloxifene, and sertaconazole, and also BTCP.Application In Synthesis of 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem