Month: November 2022

Thieno[2.3-d]-4-pyrimidones: synthesis, structure and pharmacological properties was written by Perrissin, Monique;Favre, Marylene;Luu-Duc, Cuong;Bakri-Logeais, Francoise;Huguet, Francois;Narcisse, Guy. And the article was included in European Journal of Medicinal Chemistry in 1984.Safety of Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate The following contents are mentioned in the article:

The cyclization of 2-aminothiophenes I [R = CO₂Et; R¹ = Ph, R² = H; R¹R² = (CH₂)₃, (CH₂)₄, CHMe(CH₂)₃, CH₂CHMeCH₂CH₂, CH₂CH₂CHMeCH₂, (CH₂)₅] with HCONH₂ or PhCN yields 4-pyrimidones II (R³ = H, Ph). Similar reaction of I (R = CONH₂) with (MeCO)₂CH₂ gave II (R³ = Me). Their structure and their lactam-lactim tautomerism were investigated by IR spectroscopy. Ten II have analgesic activity equal or superior to that of aspirin. Only II [R¹R² = (CH₂)₃, CH₂CHMeCH₂CH₂, R³ = H] have some antiinflammatory activity. This study involved multiple reactions and reactants, such as Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (cas: 95211-67-9Safety of Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate).

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 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.Safety of Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Optimization of Headspace Solid-Phase Micro-Extraction Conditions (HS-SPME) and Identification of Major Volatile Aroma-Active Compounds in Chinese Chive (Allium tuberosum Rottler) was written by Xie, Bojie;Wu, Qian;Wei, Shouhui;Li, Haiyan;Wei, Jinmei;Hanif, Medhia;Li, Ju;Liu, Zeci;Xiao, Xuemei;Yu, Jihua. And the article was included in Molecules in 2022.Electric Literature of C6H8S The following contents are mentioned in the article:

In order to rapidly and precisely identify the volatile compounds in Chinese chive (Allium tuberosum Rottler), seven key parameters of headspace solid-phase micro-extraction conditions (HS-SPME) from Chinese chive were optimized. A total of 59 volatile compounds were identified by using the optimized method, including 28 ethers, 15 aldehydes, 6 alcs., 5 ketones, 2 hydrocarbons, 1 ester, and 2 phenols. Ethers are the most abundant, especially di-Me trisulfide (10,623.30μg/kg). By calculating the odor activity values (OAVs), 11 volatile compounds were identified as the major aroma-active compounds of Chinese chive. From the anal. of the composition of Chinese chive aroma, the “garlic and onion” odor (OAV = 2361.09) showed an absolute predominance over the other 5 categories of aroma. The results of this study elucidated the main sources of Chinese chive aroma from a chem. point of view and provided the theor. basis for improving the flavor quality of Chinese chive. 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 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.Electric Literature of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

C-H Alkenylation of Heteroarenes: Mechanism, Rate, and Selectivity Changes Enabled by Thioether Ligands was written by Gorsline, Bradley J.;Wang, Long;Ren, Peng;Carrow, Brad P.. And the article was included in Journal of the American Chemical Society in 2017.Application of 638-02-8 The following contents are mentioned in the article:

Thioether ancillary ligands have been identified that can greatly accelerate the C-H alkenylation of O-, S-, and N-heteroarenes. Kinetic data suggest thioether-Pd-catalyzed reactions can be as much as 800× faster than classic ligandless systems. Furthermore, mechanistic studies revealed C-H bond cleavage as the turnover-limiting step, and that rate acceleration upon thioether coordination is correlated to a change from a neutral to a cationic pathway for this key step. The formation of a cationic, low-coordinate catalytic intermediate in these reactions may also account for unusual catalyst-controlled site selectivity wherein C-H alkenylation of five-atom heteroarenes can occur under electronic control with thioether ligands even when this necessarily involves reaction at a more hindered C-H bond. The thioether effect also enables short reaction times under mild conditions for many O-, S-, and N-heteroarenes (55 examples), including examples of late-stage drug derivatization. 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 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.Application of 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Herbivore induced plant volatiles represents a favorable host to onion thrips (Thrips tabaci) was written by Kumar, N. R. Prasanna;Jayanthi, P. D. Kamala;Kempraj, Vivek;Ravindra, M. A.;Roy, T. K.;Verghese, A.. And the article was included in Indian Journal of Agricultural Sciences in 2017.Recommanded Product: 2,5-Dimethylthiophene The following contents are mentioned in the article:

Onion thrips, Thrips tabacis Lindeman (Thysanoptera: Thripidae) is an important pest of horticulture crops throughout the globe. However, there is a paucity of studies on its behavioral ecol. in relation to herbivore induced plant volatiles (HIPVs). An attempt was made to study behavior of T. tabaci towards HIPVs and healthy plant volatiles. Olfactometer bioassays revealed that T. tabaci significantly preferred HIPVs from conspecific infested onion to volatiles from healthy onion plants. Gas chromatog.-Mass spectrometry (GC-MS) anal. of HIPVs and volatiles from healthy onion plants revealed substantial changes in their volatile profiles. Our study provides empirical data on signals HIPVs may provide herbivores and suggests that the role of HIPVs, mostly generalized as defense, may vary based on the interaction and must be studied closely to understand their ecol. roles. It also provides basis for the development of kairomone based management strategies against this devastating pest. 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 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 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

Metal-free direct alkylation of unfunctionalized allylic/benzylic sp³ C-H bonds via photoredox induced radical cation deprotonation was written by Zhou, Rong;Liu, Haiwang;Tao, Hairong;Yu, Xingjian;Wu, Jie. And the article was included in Chemical Science in 2017.Synthetic Route of C6H8S The following contents are mentioned in the article:

Despite notable recent efforts, a catalytic and convenient strategy for the direct alkylation of unactivated allylic or benzylic C(sp³)-H bonds remains a formidable challenge facing the synthesis community. Herein, an unprecedented allylic/benzylic alkylation using only an organo-photoredox catalyst, which enables coupling of a broad scope of alkenes/arenes and electron-deficient alkenes in an atom- and redox-economic manner has been reported. A photoredox induced alkene/arene radical cation deprotonation is proposed to smoothly generate the key allylic and benzylic radical intermediates. It represents the first C-C bond formation via radical cation deprotonation under visible light conditions. The resulting products can be easily scaled up and directly converted to γ,δ-unsaturated or α,β-diaryl-acids, -esters, -amides, -pyrazoles, -isoxazoles, as well as lactones, which enables this mild and selective sp³ C-H alkylation to rapidly access complex bioactive mols. 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 found within the chemical structures of pharmaceutical drugs such as zileuton, raloxifene, and sertaconazole, and also BTCP.Synthetic Route of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Discriminant analysis of volatile organic compounds of Fusarium oxysporum f. sp. cepae and Fusarium proliferatum isolates from onions as indicators of fungal growth was written by Wang, Aimei;Haapalainen, Minna;Latvala, Satu;Edelenbos, Merete;Johansen, Anders. And the article was included in Fungal Biology in 2018.Related Products of 638-02-8 The following contents are mentioned in the article:

Basal rot is a common onion disease and is mainly caused by Fusarium oxysporum f. sp. cepae and Fusarium proliferatum. To study the possibility of using volatile organic compounds (VOCs) as biomarkers for these fungi, pathogenic isolates of F. oxysporum and F. proliferatum from onions were cultivated in onion medium and VOCs were measured by solid phase microextraction (SPME). Forty-two compounds were detected, and thirty of these compounds were highly related to fungal metabolic activity. Allyl mercaptan was specific to F. oxysporum isolate Fox006. Anal. of the VOCs showed significant differences between the two species and among different isolates within the same species. Sixteen of the VOCs showed were highly pos. correlated with the fungal biomass estimated by real-time polymerase chain reaction (PCR). Ethanol, Et formate, Et acetate, 2-methyl-1-propanol, Me thioacetate, Pr acetate and 3-methyl-1-butanol are volatile metabolites that were potential indicators of Fusarium growth on onions. 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. Functionalized benzothiophenes are important constructs found in molecules with wide ranging biological activity and in organic materials. It is also used in the manufacturing of dyes such as thioindigo.Related Products of 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

2-(Diethylamino)thieno[1,3]oxazin-4-ones as Stable Inhibitors of Human Leukocyte Elastase was written by Guetschow, Michael;Kuerschner, Lars;Neumann, Ulf;Pietsch, Markus;Loeser, Reik;Koglin, Norman;Eger, Kurt. And the article was included in Journal of Medicinal Chemistry in 1999.Reference of 95211-67-9 The following contents are mentioned in the article:

A series of 2-(diethylamino)thieno[1,3]oxazin-4-ones was synthesized and evaluated in vitro for inhibitory activity toward human leukocyte elastase (HLE). The Gewald thiophene synthesis was utilized to obtain several 2-aminothiophene-3-carboxylates. These precursors were subjected to a 5-step route to obtain thieno[2,3-d][1,3]oxazin-4-ones bearing various substituents at positions 5 and 6. Both thieno[2,3-d]- and thieno[3,2-d]-fused oxazin-4-ones possess extraordinary chem. stability, which was expressed as rate constants of the alk. hydrolysis. The kinetic parameters of the HLE inhibition were determined The most potent compound, 2-(diethylamino)-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one, exhibited a K_i value of 5.8 nM. 2-(Diethylamino)thieno[1,3]oxazin-4-ones act as acyl-enzyme inhibitors of HLE, similar to the inhibition of serine proteases by 4H-3,1-benzoxazin-4-ones. The isosteric benzene-thiophene replacement accounts for an enhanced stability of the acyl-enzyme intermediates. This study involved multiple reactions and reactants, such as Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (cas: 95211-67-9Reference of 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 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.Reference of 95211-67-9

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Visible-Light-Promoted Nickel-Catalyzed Cross-Coupling of Iodocarboranes with (Hetero)Arenes via Boron-Centered Carboranyl Radicals was written by Li, Shimeng;Xie, Zuowei. And the article was included in Journal of the American Chemical Society in 2022.Related Products of 638-02-8 The following contents are mentioned in the article:

A general strategy for the generation of hypervalent B-centered carboranyl radicals at the B(3), B(4), and B(9) positions was developed for the 1st time via visible-light-promoted I atom abstraction from iodo-o-carboranes by low-valent Ni complex. These radicals react with various (hetero)arenes to afford a wide range of cage B-arylated carborane derivatives at room temperature in very good to excellent yields with a broad substrate scope. Their electrophilicities are dependent on the vertex charges of the cage and follow the order B(3) > B(4) > B(9). Both visible light and Ni catalyst are proved critical to the generation of B-centered carboranyl radicals. The involvement of B radicals is supported by control experiments A reaction mechanism associated with these reactions is also proposed. This strategy offers a new protocol for the generation of B-centered carboranyl radicals at the selected B vertex, leading to a facile synthesis of a large class of cage B substituted carborane mols. 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. Due to its aromaticity, thiophenes do not exhibit the same properties as conventional thioethers.Related Products of 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Photochromic reactivity induced by electron distribution: active or inactive was written by Li, Xiaochuan;Wang, Yaxin;Jia, Caixia;Kim, Hyorim;Son, Young-A.. And the article was included in Molecular Crystals and Liquid Crystals in 2019.COA of Formula: C6H8S The following contents are mentioned in the article:

Photochromic core structure, triangle terthiophene, is configured to the design of 2,3-Bis(2,5-dimethylthiophen)-5-methoxyphenylethynylthiophene (PT) and 2,3-Bis(2,5-dimethylthiophen)-5-(4-methoxyphenyl)-1,3-butadiene-1,1,4,4-tetracarbonitrile(MPT) and characterized by NMR and HRMS technol. The photochromic behavior is investigated in typical solvents. With in hexane, reversibly photochromic process is induced by alternative irradiation of UV and Visible light. The solution color of can be toggled between colorless and pink, forming a switch cycle. In chloroform, the photochromic wavelength moves to shorter wavelength side. For, UV light induced photochromism is not observed Due to the addition of tetracarbonitrile, its strong electron-withdrawing character significantly lowers the electron d. on reactive carbon atoms in LUMO, which is one of the key elements to support the photoactive of photochromism. Therefore, the mol. configuration of electron distribution is important to the design of photochromic dyes. 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

Desulfurization of hexyl sulfide and hexanethiol using supercritical water was written by Kang, Jimoon;Sim, Seungjae;Jung, Hyunwook;Han, Byungchan;Lee, Youn-Woo. And the article was included in Journal of Supercritical Fluids in 2020.Synthetic Route of C6H8S The following contents are mentioned in the article:

Desulfurization of hexyl sulfide and hexanethiol using supercritical water (SCW) was investigated by combining exptl. and computational methods to study the desulfurization of alkyl sulfides and thiols in SCW. Desulfurization was conducted for 0 ∼ 30 min at 400°C using thermal decomposition and SCW decomposition (24.7 ∼ 25.6 MPa), and the reaction pathways were built using the automated Reaction Mechanism Generator (RMG) and Gaussian 09. In thermal decomposition, C6-hydrocarbons (hexane, hexene) are main products, but in SCW, C5-hydrocarbon (pentane) in addition to C6-hydrocarbons are main products with higher alkane to alkene ratio. For the reaction pathways, in SCW, water participates as catalysts and reactants donating hydrogens with inhibited production of cyclic sulfides while in thermal decomposition, the hydrogen was deficient producing aromatic sulfur compounds such as thiophenes and alkyl-thiacycloalkanes. This study is expected to clarify the decomposition reactions of alkyl sulfides and alkyl thiols in SCW. 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. Its aromaticity makes it relatively stable, although as a heterocycle, it has reactive sites which allow for functionalization.Synthetic Route of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem