Month: November 2022

Formation of S-alkyl thiophenium ionic liquids: mechanistic rationale and structural relationships was written by Schiel, Maria A.;Garcia de la Concepcion, Juan;Domini, Claudia E.;Cintas, Pedro;Silbestri, Gustavo F.. And the article was included in Organic & Biomolecular Chemistry in 2019.Synthetic Route of C6H8S The following contents are mentioned in the article:

The quaternization of thiophenes through S-alkylation reactions with iodoalkanes in the presence of silver salts opens the door to a new family of room-temperature ionic liquids, yet relatively unexplored in terms of chem. reactivity and applications. This computational study provides a mechanistic rationale that accounts for their formation. The results are consistent with the calculated energy barriers of the corresponding transition structures. Calculations indicate that the geometry at the sulfur atom goes from flat to tetrahedral during salt formation, and the electron delocalization of thiophene is greatly reduced, if not lost, as inferred from aromaticity indexes. Moreover, the rationale explains the influence of polarizable anions on S-alkylation and why alkyl substitution at the α-position of thiophenes gives rise to more stable species than unsubstituted derivatives 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 used as starting material for the synthesis of bioactive molecules. 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.Synthetic Route of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Photochemical Intramolecular C-H Addition of Dimesityl(hetero)arylboranes by a [1,6]-Sigmatropic Rearrangement was written by Ando, Naoki;Fukazawa, Aiko;Kushida, Tomokatsu;Shiota, Yoshihito;Itoyama, Shuhei;Yoshizawa, Kazunari;Matsui, Yasunori;Kuramoto, Yutaro;Ikeda, Hiroshi;Yamaguchi, Shigehiro. And the article was included in Angewandte Chemie, International Edition in 2017.Synthetic Route of C6H8S The following contents are mentioned in the article:

A new reaction mode for triarylboranes under photochem. conditions was discovered. Photoirradiation of dimesitylboryl-substituted (hetero)arenes produced spirocyclic boraindanes, where one of the C-H bonds in the ortho-Me groups of the mesityl substituents was formally added in a syn fashion to a C-C double bond of the (hetero)aryl group. Quantum chem. calculations and laser flash photolysis measurements indicated that the reaction proceeds by a [1,6]-sigmatropic rearrangement. This behavior is reminiscent of the photochem. reaction mode of arylalkenylketones, thus demonstrating the isosteric relation between tricoordinate organoboron compounds and the corresponding pseudo-carbocationic species in terms of pericyclic reactions. Despite the disrupted π-conjugation, the resulting spirocyclic boraindanes exhibited a characteristic absorption band at relatively long wavelengths (λ=370-400 nm). 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 relatively a stable molecule. The electrophilic substitution of benzothiophene systems is much less regioselective than that of indoles. It is also used in the manufacturing of dyes such as thioindigo.Synthetic Route of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Identification of bioactive compounds of pyrolysis oil obtained from cotton residues (Gossypium arboreum) by flash pyrolysis was written by Madhu, P.;Periyanayagi, G.. And the article was included in International Journal of ChemTech Research in 2017.Computed Properties of C6H8S The following contents are mentioned in the article:

Pyrolysis oils have attracted a lot of interest, as they are liquid energy carriers and general sources of chems. In this work the gas chromatog.-mass spectroscopy was developed and applied for the anal. of bioactive and hydrocarbons of pyrolysis bio oil. More than 250 bioactive compounds such as normal saturated hydrocarbons, cyclopentane, cyclohexane, esters, alcs., sulfur- and bromo-containing compounds, simple pyrane, and benzene derivatives, were identified. Most of these compounds have not been reported earlier. The increase in the number of identified products is due to increased separations This increased understanding of pyrolytic product distribution can be used to enhance our understanding of the formation mechanisms of pyrolytic products. The method described in this article is a suitable research tool for the determination of various chem. compounds from pyrolysis bio oil derives from cotton shell. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Computed Properties 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. The different substitution patterns in these heterocycles offer new opportunities for drug discovery and other applications in materials science.Computed Properties of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Synthesis and SAR of thiophene containing kinesin spindle protein (KSP) inhibitors was written by Pinkerton, Anthony B.;Lee, Tom T.;Hoffman, Timothy Z.;Wang, Yan;Kahraman, Mehmet;Cook, Travis G.;Severance, Daniel;Gahman, Timothy C.;Noble, Stewart A.;Shiau, Andrew K.;Davis, Robert L.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2007.Recommanded Product: 95211-67-9 The following contents are mentioned in the article:

A series of thiophene-containing inhibitors of kinesin spindle protein (KSP) I [R¹ = H, Me; R¹₂ = (CH₂)₄, CH₂CMe₂CH₂CH₂, CH₂OCH₂CH₂, etc.; R² = Ph, 2-thienyl, 2-furyl, 1,3-thiazol-5-yl, etc.; R³ = R⁴ = H, Me, Et; R³R⁴ = (CH₂)₃, (CH₂)₄, etc.; R³ = H, Me, R⁴ = Me₂NCH₂CH₂] was identified and synthesized. SAR studies led to the synthesis of I (R¹₂ = CH₂CH₂CHMeCH₂; R² = 2-thienyl; R³ = R⁴ = Et), which was co-crystallized with KSP and determined to bind to an allosteric pocket previously described for other known KSP inhibitors. This study involved multiple reactions and reactants, such as Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (cas: 95211-67-9Recommanded Product: 95211-67-9).

Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (cas: 95211-67-9) 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 is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, and sertaconazole, and also BTCP.Recommanded Product: 95211-67-9

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Geographical discrimination and authentication of Chinese garlic based on multi-element, volatile and metabolomics profiling combined with chemometrics was written by Mi, Si;Zhang, Xiangnan;Wang, Yuhang;Yan, Fulong;Sang, Yaxin;Gong, Heyou;Wang, Xianghong. And the article was included in Food Control in 2021.Synthetic Route of C6H8S The following contents are mentioned in the article:

This study aims to discriminate the garlics collected from four different geog. locations of China. The multi-element (12 samples), volatile (12 samples) and metabolome (24 samples) composition of the garlics were analyzed and compared. A total of 34 chem. elements, 68 volatiles and 854 metabolites were detected in the garlic samples. Significant differences were observed in the chem. element, volatile and metabolomics profiles of the four groups of garlic. Multivariate statistics indicate that 10 chem. elements, 6 volatiles and 225 metabolites could be used as candidate markers for the separation of garlics obtained from Langfang, Jining, Kaifeng and Dali of China. The current work provides a chem. fingerprint of the selected Chinese garlics. Our results demonstrate that chem. profiling in combination with chemometrics has the potential to be used as feasible approaches for the authentication of the geog. origin of garlic. 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 is also used in the manufacturing of dyes such as thioindigo.Synthetic Route of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Synthesis and pharmacological activities of some substituted thienopyrimidine-4-ones was written by Perrissin, Monique;Favre, Marylene;Cuong Luu Duc;Huguet, Francois;Gaultier, Chantal;Narcisse, Guy. And the article was included in European Journal of Medicinal Chemistry in 1988.Recommanded Product: 95211-67-9 The following contents are mentioned in the article:

Thieno[2,3-d]pyrimidin-4-ones I [RR¹ = (CH₂)₃, (CH₂)₄, CH₂CHMeCH₂CH₂, CH₂CH₂CHMeCH₂, CHMe(CH₂)₃, (CH₂)₅; R = H, R¹ = Ph; R² = Me, CH₂Ph] were prepared by acylating the aminothiophenes II, followed by cyclization with N₂H₄. Thienopyrimidinones III were obtained from II and 3-CF₃C₆H₄CN. Analgesic and anti-inflammatory properties of these 18 compounds were investigated. Most of them showed very low toxicity. Seven compounds exhibited significant analgesic activity, six compounds displayed an anti-inflammatory activity. Some possessed both effects at levels close to those exhibited by acetylsalicylic acid. This study involved multiple reactions and reactants, such as Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (cas: 95211-67-9Recommanded Product: 95211-67-9).

Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (cas: 95211-67-9) belongs to benzothiophene derivatives. Benzothiophenes are valuable heterocycles that are widely used in medicines, agrochemicals, and materials science. It is found within the chemical structures of pharmaceutical drugs such as zileuton, raloxifene, and sertaconazole, and also BTCP.Recommanded Product: 95211-67-9

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Highly fluorescent response of 4-(2,5-dimethylthiophen-3-yl)-2- hydroxyphenylbenzothiazole toward BF₃·Et₂O and Zn²⁺ was written by Liu, Yingfan;Li, Xiaochuan;Min, Kyeong Su;Son, Young-A.. And the article was included in Molecular Crystals and Liquid Crystals in 2018.Related Products of 638-02-8 The following contents are mentioned in the article:

In this contribution, the emission response of 4-(2,5-dimethylthiophen-3-yl)-2-(2-hydroxyphenyl)benzothiazole (THBT) was investigated in detail. The exptl. shows that Zn²⁺ could induce fluorescence increasing in THF. Especially, the quenched emission of THBT was significantly enhanced with 0.76 quantum yield. Due to the coordination of Zn²⁺, the excited state intramol. proto transfer (ESIPT) was inhibited and leads to emission quenching correspondingly. The strong emission could ascribe to the Zn-THBT complex. As well, the addition of BF₃·Et₂O also could form fluorine-boron complex and inhibit ESIPT effect. Addnl., the BF complex is also a strong blue emitter. Therefore, strong blue emission upon BF₃·Et₂O addition to THBT in dioxane was found. The possible coordinating mechanisms of THBT coordinate with Zn²⁺ and BF₃·Et₂O were given. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Related Products 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, and sertaconazole, and also BTCP.Related Products of 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Synthesis Characterization and In Vitro Antibacterial Activity of the N-Substituted Bis-Pyrazoline Derivative as Polycyclic Aromatic Compounds was written by Aqlan, Faisal M.. And the article was included in Polycyclic Aromatic Compounds in 2022.Reference of 638-02-8 The following contents are mentioned in the article:

N-substituted bis-pyrazolines I [R = 4-MeC₆H₄NH, 2-ClC₆H₄NH, 4-O₂NC₆H₄NH, 2,4-F₂C₆H₃NH, 2,6-F₂C₆H₃NH] were synthesized by the reaction of bis-chalcone with N-substituted thiosemicarbazide derivatives under basic conditions. The bis-chalcone was synthesized by the reaction of 1-(2,5-dimethylthiophen-3-yl)ethan-1-one with terephthalaldehyde under basic condition. The in vitro antibacterial activity of I was estimated against two Gram-pos. and two Gram-neg. bacterial strains by the disk diffusion method and min. inhibitory concentration (MIC) method and the results were compared with standard drug Amoxicillin. The structure-activity relationship showed that I (R = 2-ClC₆H₄NH) was more active than standard drug Amoxicillin. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Reference 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. The different substitution patterns in these heterocycles offer new opportunities for drug discovery and other applications in materials science.Reference of 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Unlocking the Friedel-Crafts arylation of primary aliphatic alcohols and epoxides driven by hexafluoroisopropanol was written by Zhang, Shaofei;Vayer, Marie;Noel, Florent;Vukovic, Vuk D.;Golushko, Andrei;Rezajooei, Nazanin;Rowley, Christopher N.;Leboeuf, David;Moran, Joseph. And the article was included in Chem in 2021.Recommanded Product: 638-02-8 The following contents are mentioned in the article:

The limitations thar easily overcome using Bronsted acid catalysis in hexafluoroisopropanol (HFIP) as a solvent were reported. Electron-poor aromatic epoxides and aliphatic epoxides undergo stereospecific arylation to give alcs. RC(R¹)(Ar)CH₂OH/RCH(OH)CH(Ar)OH, and based on the reaction conditions, it can partake in a second nucleophilic substitution with a different arene ArH in one pot. Ph ethanols R³(CH₂)₂OH (R³ = Ph, 2,6-dichlorophenyl, 2,4,6-trimethylphenyl, etc.) react through a phenonium intermediate, whereas simple aliphatic alcs. e.g., cyclopentanol participate in a rare intermol. SN2 Friedel-Crafts process, delivering linear products e.g., 1,3,5-trimethyl-2-phenethylbenzene exclusively. In this work, an alternative to metal-catalyzed cross-couplings was provided for accessing important scaffolds, and widening the range of applications of the Friedel-Crafts reaction. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Recommanded Product: 638-02-8).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is relatively a stable molecule. The electrophilic substitution of benzothiophene systems is much less regioselective than that of indoles. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, and sertaconazole, and also BTCP.Recommanded Product: 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Volatile composition and sensory characteristics of onion powders prepared by convective drying was written by Choi, So Mang;Lee, Dong-Jin;Kim, Jong-Yea;Lim, Seung-Taik. And the article was included in Food Chemistry in 2017.Reference of 638-02-8 The following contents are mentioned in the article:

Volatile composition and sensory characteristics of onion powders prepared by convective drying at different temperatures (50, 70, and 90 °C) were investigated. Di-Pr disulfide was the major volatile compound in fresh onion (77.70% of total volatile compounds). However it was considerably lost during drying, reaching 6.93-32.25 μg/g solids. Di-Pr disulfide showed a pos. correlation with green sensory attribute perceived by descriptive sensory anal. Thiophenes, which were responsible for caramel and sweet attributes, were produced by drying especially when the drying temperature was high. Aldehydes, another type of volatile compound found in fresh onion, showed a pos. correlation with humidity. The aldehyde content in dried onion was the highest at the lowest drying temperature, possibly because the aldehydes were produced by the residual enzymes in fresh onion. Using a low temperature for drying was ideal to retain the aroma of fresh onion. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Reference of 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. It is also used in the manufacturing of dyes such as thioindigo.Reference of 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem