Category: benzothiophene

Synthesis, Cytotoxic Activity and Molecular Docking Studies of New Condensed Thieno[2,3-d]Pyrimidines as Antitumor Agents was written by Kaliraj, S.;Jeyalakshmi, R.;Kathiravan, M. K.. And the article was included in Pharmaceutical Chemistry Journal in 2020.Reference of 95211-67-9 The following contents are mentioned in the article:

A series of lactam fused thienopyrimidines I [R¹ = H, Me, Et, CO₂Me, etc.; R² = H, Me; R¹R² = (CH₂)₄, (CH₂)₃CH(Me); n = 1, 2, 3] and triazole fused thienopyrimidines II [R¹ = H, Me, CO₂Et, etc.; R² = H, Me, Ph; R³ = Me, 4-OHC₆H₄; R¹R² = (CH₂)₃, (CH₂)₄, (CH₂)₃CH(Me)] were synthesized. The target compounds were obtained in good yield and confirmed for their structural integrity. The cytotoxic activity against A431 human epidermoid carcinoma and H9c2 rat cardiomyocyte cells were studied by MTT assay. Most of the synthesized compounds showed 85% cell death in both human A341 and rat H9c2 cell lines, indicating potential anticancer activity of these compounds Interestingly, compound II [R³ = 4-OHC₆H₄] showed a reversal in trend by enhancing the growth of both A341 and H9c2 cells. 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 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.Reference of 95211-67-9

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Metabolomics Approaches for Analyzing Effects of Geographic and Environmental Factors on the Variation of Root Essential Oils of Ferula assa-foetida L was written by Karimi, Ali;Kraehmer, Andrea;Herwig, Nadine;Hadian, Javad;Schulz, Hartwig;Meiners, Torsten. And the article was included in Journal of Agricultural and Food Chemistry in 2020.HPLC of Formula: 638-02-8 The following contents are mentioned in the article:

Environmental factors shape the production and accumulation processes of plant secondary metabolites in medical and aromatic plants and thus their pharmacol. and biol. activity. Using an environmental metabolomics approach, we determined chemotypes and specific compounds on the basis of essential oils (EOs) from roots of 10 Iranian Ferula assa-foetida L. populations and related them to geog., climate, and edaphic data. GC-MS revealed three distinct chemotypes characterized by (I) monoterpenes and Z-1-propenyl sec-Bu disulfide; (II) eudesmane sesquiterpenoids and α-agarofuran; and (III) Z- and E-1-propenyl sec-Bu disulfide. NIRS measurements indicated a similar but less distinct pattern. Structural equation models showed that EO constituents and content were directly influenced by edaphic factors (texture, pH, and iron, potassium, and aluminum content) and temperature and predominantly indirectly by latitude, longitude, and altitude. Predicting EO constituents or chemotypes by geog., climate, and soil factors can be used in F. assa-foetida to select populations with specific EO characteristics. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8HPLC of Formula: 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 found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, and sertaconazole, and also BTCP.HPLC of Formula: 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Formation mechanism of aroma compounds in a glutathione-glucose reaction with fat or oxidized fat was written by Zhao, Jian;Wang, Tianze;Xie, Jianchun;Xiao, Qunfei;Cheng, Jie;Chen, Feng;Wang, Shi;Sun, Baoguo. And the article was included in Food Chemistry in 2019.Electric Literature of C6H8S The following contents are mentioned in the article:

Glutathione and glucose with or without chicken fat/oxidized chicken fat were thermally reacted for generation of stewed meat-like aroma, where 42 sulfur-containing odorants were identified by gas chromatog.-mass spectrometry (GC-MS) and gas chromatog.-olfactometry (GC-O). The observed effects or interactions on meat flavor formation due to the fats were similar to previous reports of cysteine-reducing sugar reactions. Carbohydrate module labeling approach demonstrated ten alkyl chain compounds were indeed resulted from the lipid degradation-Maillard reaction interactions, whereas the fats had little effect on formation pathways of compounds only derived from the Maillard reaction. Formation pathways of 26 potent aroma compounds were proposed, particularly, involving two benzene derivatives and seven complex thiophenes. Notably, it was found for the first time just 2-ethylthiophene could result from both an intact skeleton of glucose and the lipid degradation product of 2,4-hexadienal, and the carbohydrate modules methylglyoxal and hydroxyacetone could arise from the glutamic acid of GSH. 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 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.Electric Literature of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Reactions of a 3-phenyl-1-trifluoromethyl-prop-2-yne iminium salt with furans, thiophenes, and pyrroles was written by Schneider, Thomas;Heinrich, Georg;Koch, Raphael;Maas, Gerhard. And the article was included in European Journal of Organic Chemistry in 2021.Recommanded Product: 638-02-8 The following contents are mentioned in the article:

Reactions of a novel propyne iminium salt, N,N-di-Me 3-phenyl-1-trifluoromethyl-propyne iminium triflate, with electron-rich heteroaromatic ring systems (furans, thiophenes, pyrroles) are reported. The 1-CF₃-propyne iminium ion can act as a highly reactive ambident electrophile, giving rise to simple electrophilic heteroaromatic ring substitution products, and as a 1,3-biselectrophile leading to C₂+C₃-CF₃ annulation products. Moreover, it is an electron-deficient alkyne which was found to afford double [2+2] cycloaddition products with 2,5-dimethylfuran and 2,5-dimethylthiophene. The obtained mol. structures include CF₃-containing compounds with cyclopenta[b]furan, cyclopenta[b]thiophene, cyclopenta[c]thiophene, cyclopenta[b]pyrrole, cyclopenta[c]pyrrole, 3H-pyrrolizine, and 1,4-dihydrocyclopenta[b]pyrrole ring systems. Analogous reactions of 1,3(or 1,4)-phenylenebis(1-CF₃-propyne iminium) salts with furans, pyrroles or thiophenes in a 2 : 1 stoichiometry lead to phenylene-tethered condensed heterocycles of the same type. 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 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.Recommanded Product: 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Interface engineering of quaternary ammonium phosphotungstate for efficient oxidative desulfurization of high-sulfur petroleum coke was written by Gong, Jiahong;Xu, Huanhuan;Liu, Jixing;Liu, Hui;Hua, Mingqing;Yang, Ning;Wu, Peiwen;Li, Huaming;Zhu, Wenshuai. And the article was included in Petroleum Science and Technology.Formula: C6H8S The following contents are mentioned in the article:

Reducing the sulfur content in high-sulfur petroleum coke (HSPC) has become an urgent issue, however, remains a great challenge with the development of petroleum refining industry. Herein, a highly-efficient catalyst quaternary ammonium phosphotungstate ionic liquid [(C4H9)4N]3PW12O40 (C4@HPA) was initiated to activate H2O2, and the sulfur content of HSPC was remarkably decreased from 4.46 weight% to 2.76 weight% at a relatively mild temperature (70 oC), which is discernible below than 1400 oC in industry. The characterization results showed that only sulfate can be removed, while sulfoxide and sulfone were retained in petroleum coke. Moreover, the desulfurization activity of C4@HPA/H2O2 to thiophene sulfides decreases as follows: Thiophene > 2-Methylthiophene > 2,5-Dimethylthiophene > Dibenzothiophene > 4-Methyldibenzothiophene. It reveals that the sulfur of 4-MDBT is the most difficult to be removed. Therefore, this founding here may shine light on the understanding and construction of efficient catalyst for desulfurization of high-sulfur petroleum coke in industry. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Formula: 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. Due to its aromaticity, thiophenes do not exhibit the same properties as conventional thioethers.Formula: C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Meat flavor generation from different composition patterns of initial Maillard stage intermediates formed in heated cysteine-xylose-glycine reaction systems was written by Zhao, Jian;Wang, Tianze;Xie, Jianchun;Xiao, Qunfei;Du, Wenbin;Wang, Yaxin;Cheng, Jie;Wang, Shi. And the article was included in Food Chemistry in 2019.Product Details of 638-02-8 The following contents are mentioned in the article:

Volatile compounds formed in model reactions involving synthesized initial Maillard intermediates Gly-Amadori and [¹³C₅]-2-threityl-thiazolidine-4-carboxylic acids ([¹³C₅]-TTCA) in different molar ratios and free cysteine and glycine were investigated by solid-phase microextraction/gas chromatog.-mass spectrometry and gas chromatog.-olfactometry. The 1:1 ratio composition pattern provided the highest yields of all the sulfur-containing compounds, the potent meaty flavors or their ¹³C-labeled/unlabeled fractions, indicating a moderate level of glycine relative to cysteine was optimum for maximally yielding meaty flavors in complex meat-like Maillard systems containing cysteine as well as glycine. In addition, the 1:1 ratio composition led to formation of ¹³C-labeled mols. of some key meaty flavors e.g. 2-furanthiol representing over 70%, indicating TTCA/glycine reaction was better than Gly-Amadori/cysteine to yield meaty flavors. Formation pathways of twenty-nine flavors were elucidated based on the detected isotope distribution patterns. In particular, 2-methyltetrahydrothiophen-3-one, 3-thiophenethiol, 2-ethylthiophene, 2,5-dimethylthiophene, and 5-methylthiophene-2-carboxaldehyde involved a new formation pathway. Thiophene-2-carboxaldehyde and 2-methylthieno[3,2-b]thiophene showed two formation pathways. 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 also used in the manufacturing of dyes such as thioindigo.Product Details of 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Identification and Categorization of Volatile Sulfur Flavor Compounds in Roasted Malts and Barley was written by Parr, Hebe;Bolat, Irina;Cook, David. And the article was included in Journal of the American Society of Brewing Chemists.SDS of cas: 638-02-8 The following contents are mentioned in the article:

We report for the first time the application of HS-SPME-GC coupled with sulfur-specific pulsed flame photometric detection to sensitively analyze the volatile sulfur compounds (VSC′s) present in drum roasted malt and barley samples typically used in brewing. Twenty-five VSC′s were identified across a range of 9 roasted products produced from barley/malt. Thiophenes (n = 10) were a major class of heterocyclic sulfur compounds identified, along with thiazoles (n = 4), and thiofurans (n = 2). Quant. (n = 18) and semi-quant. (n = 6) data are reported for VSC′s across this product range. Principal Component Anal. (PCA) of data clearly identified (PC1) that heterocyclic sulfur compounds were formed in products processed at high temperatures (>170 °C) under dry conditions (roasted barley, chocolate and black malts). Whereas compounds such as Me dithiolane and Me Pr sulfide were associated primarily with lower temperature finished products (crystal, amber and cara malts). Pathways for the generation of observed VSC′s are considered alongside typical roasting conditions employed in the manufacture of these products. Concentrations of VSC′s identified will certainly contribute characteristic aromas to the roasted products themselves. The transfer of VSC′s from the grist into finished beer, and their sensory impact in a range of beer styles, remains to be determined This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8SDS of 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. Due to its aromaticity, thiophenes do not exhibit the same properties as conventional thioethers.SDS of cas: 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Heisenberg Spin Chains via Chalcogen Bonding: Noncovalent S···O Contacts Enable Long-Range Magnetic Order was written by Mayo, R. Alex;Morgan, Ian S.;Soldatov, Dmitriy V.;Clerac, Rodolphe;Preuss, Kathryn E.. And the article was included in Inorganic Chemistry in 2021.Reference of 638-02-8 The following contents are mentioned in the article:

The new radical ligand 5,8-dimethyl-1,4-dioxonaphtho[2,3-d][1,2,3]dithiazolyl (1) is reported. Two crystal polymorphs, 1α and 1β, differing in their pancake-bonded dimerization motif and S···O contact network, are identified. The self-assembly of Mn(II) metal ions with 1 gives [Mn(hfac)₂]₃(1)₂ that exhibits a Mn(II)-radical-Mn(II)-radical-Mn(II) linear arrangement of three Mn(hfac)₂ units bridged by two radical ligands (hfac = 1,1,1,5,5,5-hexafluoroacetylacetonato-). Characterization by single-crystal x-ray diffraction of this Mn(II) complex packing structure reveals close noncovalent S···O contacts between the [Mn(hfac)₂]₃(1)₂ units in one dimension along the b-c direction. The magnetic properties of the coordination complex were characterized by d.c. and a.c. susceptibility measurements on a microcrystalline solid. The magnetic data down to 4.8 K indicate effective ferromagnetic interactions (J/k_B = +0.16 K) between the mol. S_T = 13/2 units along the supramol. chain involving noncovalent S···O contacts. Below 2.9 K, a nonzero out-of-phase component appears in the a.c. susceptibility, indicating the presence of a three-dimensional magnetic phase transition. 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 is relatively a stable molecule. The electrophilic substitution of benzothiophene systems is much less regioselective than that of indoles. Its aromaticity makes it relatively stable, although as a heterocycle, it has reactive sites which allow for functionalization.Reference of 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Preparation of Novel and Highly Stable Py/MOF and Its Adsorptive Desulfurization Performance was written by Song, Hua;Li, Xiaojuan;Jiang, Bolong;Gong, Mingyue;Hao, Tianzhen. And the article was included in Industrial & Engineering Chemistry Research in 2019.Computed Properties of C6H8S The following contents are mentioned in the article:

A highly active and stable MOF-199-supported ionic liquid [Hnmp][H₂PO₄] (IL-NP) adsorbent (Py/MOF) was successfully synthesized and characterized via XRD, SEM and TEM, TG-DTG, FT-IR, BET, and XPS technologies. The effects of different sulfides and interfering components present in model oils on the adsorptive desulfurization (ADS) performance of Py/MOF were studied. The results show that the regular octahedron crystalline structure of MOF-199 was well preserved and IL-NP fixed on the surface of MOF-199 presented like a flower after grafting ionic liquid IL-NP. The Py/MOF showed highly ordered canals, which are larger than those of MOF-199. Upon introducing IL-NP to MOF-199, the ADS activities were improved, which can be attributed to the improved intimate contact between sulfur compounds and adsorbent, the addnl. adsorption acidic sites for slightly basic sulfur compounds, and the increased pore size with mesoporous pores appearing. The ADS activity of Py/MOF adsorbing different sulfides was in the order of DBT > BT > 3-MTP > TP > 2,5-DMTP, and the effect of interfering component on ADS performance of Py/MOF was in the order of cyclohexene > toluene > water > ethanol. After 4 times of regeneration, the DBT removal onto Py/MOF was still at 93.8%, which decreased by 4.9% as compared to that of the fresh adsorbent. 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. Benzothiophenes are valuable heterocycles that are widely used in medicines, agrochemicals, and materials science. 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.Computed Properties of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Time-of-flight secondary ion mass spectrometry and gas chromatography-mass spectrometry studies of alkanethiol self-assembled monolayers on nanoporous gold surfaces was written by Hafez, Aly M.;Hua, Quoc Trung;Adam, Mohamed Shaker S.. And the article was included in Surface and Interface Analysis in 2021.Computed Properties of C6H8S The following contents are mentioned in the article:

The dimerization of alkanethiol mixtures (hexanethiol, octanethiol, and dodecanethiol) to form self-assembled monolayers (SAMs) from headspace on nanoporous gold surfaces was studied for the first time using gas chromatog. (GC/MS) and time-of-flight secondary ion mass spectrometry (TOF-SIMS). The nanoporous gold surfaces were obtained by an acidic etching of a 585-gold alloy. Field emission SEM (FE-SEM) was utilized to study the change of the surface geometry and porosity of the gold surfaces before and after etching. Alkanethiols were deposited from the vapor phase above the thiol solutions (headspace) on nanoporous gold plates and nanoporous gold solid-phase vmicroextn. (SPME) fibers. The nanoporous gold substrates were analyzed by TOF-SIMS and GC/MS, resp. The TOF-SIMS spectra exhibited various gold-sulfur ion clusters and specific peaks related to the adsorption of thiols such as deprotonated monomers, thiolate-Au, dimers (e.g., dialkyl sulfides-Au and dialkyl disulfides-Au). The GC/MS anal. of headspace extractions of alkanethiol mixtures by nanoporous gold SPME fibers showed a high extraction efficiency of alkanethiol, dialkyl sulfide, and dialkyl disulfide when compared with the com. SPME fibers (DVB-CAR-PDMS and CAR-PDMS). Different GC/MS optimization factors were studied including the extraction time and desorption temperature 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 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.Computed Properties of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem