Category: 1468-83-3

Yu, Pei published the artcileIdentification of volatile sulfur-containing compounds and the precursor of dimethyl sulfide in cold-pressed rapeseed oil by GC-SCD and UPLC-MS/MS, Recommanded Product: 3-Acetylthiophene, the main research area is rapeseed oil volatile sulfur containing compound dimethyl sulfide; (Methyldisulfanyl)methane (PubChemCID 12232); (Methylsulfinyl)methane (PubChem CID 679); 1,3-Thiazole (PubChemCID 9256); 1-(3-Thienyl)ethanone (PubChemCID 15116); 2-Methyl-1,3-thiazole (PubChemCID 77129); 2-[(Methylsulfanyl)methyl]furan (PubChemCID 518937); 3-(Allyldisulfanyl)-1-propene (PubChem CID 16590); 3-(Methyldisulfanyl)-1-propene (PubChemCID 62434); 3-(Methylsulfanyl)-1-propene (PubChemCID 66282); 3-(Methylthio)butyraldehyde (PubChemCID 61845); 5-Methyl-2-thiophenecarboxaldehyde (PubChemCID 61663); Bis(methylsulfanyl)methane (PubChemCID 15380); Cold-pressed rapeseed oil; Diallyltrisulfane (PubChemCID 16315); Dimethyl sulfide; Dimethyl sulfide(PubChemCID 1068); Dimethyltrisulfane (PubChemCID 19310); Methanethiol (PubChemCID 878); S-Ethylethanethioate (PubChemCID 61171); S-Methylethanethioate (PubChemCID 73750); S-Propylethanethioate (PubChemCID 61295); S-methylmethionine; S-methylmethionine (PubChemCID 458); Sulfur chemiluminescence detection; Ultra-performance liquid chromatography tandem mass-spectrometry; Volatile sulfur-containing compounds.

Volatile sulfur-containing compounds (VSCs) provide an important contribution to foods due to their special odors. In this study, VSCs in 21 cold-pressed rapeseed oils (CROs) from 9 regions in China were extracted and separated by headspace solid-phase microextraction combined with gas chromatog. coupled with sulfur chemiluminescence detection. 19 VSCs were identified by authentic standards, and the total concentration of VSCs in all CROs ranged from 49.0 to 18129μg/kg. Di-Me sulfide (DMS), with its high odor activity value (7-14574), was the most significant aroma contributor to the CROs. Furthermore, S-methylmethionine (SMM) in rapeseed was first affirmed by ultra-performance liquid chromatog.-tandem mass spectrometry and isotope quantitation. The pos. correlation coefficient between DMS and SMM was 0.793 (p < 0.05), which confirmed SMM as a crucial precursor of DMS in CROs. This study provided a theor. basis for selecting rapeseed materials by the distribution of essential VSCs and the source of DMS. Food Chemistry published new progress about Cold-press molding. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Recommanded Product: 3-Acetylthiophene.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Zhuang, Shi-Yi published the artcileI2-DMSO mediated oxidative amidation of methyl ketones with anthranils for the synthesis of α-ketoamides, Recommanded Product: 3-Acetylthiophene, the main research area is formyl iodophenyl oxo arylacetamide preparation; aryl ethanone anthranil oxidative amidation iodine dimethyl sulfoxide mediated.

An I2-DMSO mediated oxidative amidation of Me ketones using anthranils as masked N-nucleophiles had been developed for the direct synthesis of α-ketoamides I [R1 = Ph, 4-MeC6H4, 4-MeOC6H4, etc.; R2 = 4-I, 4-MeO, 3-F-4-I, etc.] with high atom-economy. This metal-free process involved reductive N-O bond cleavage of anthranils and oxidative C-N bond formation of Me ketones under mild conditions. The iodo group and electrophilic formyl group provided multiple possibilities for further functionalization of α-ketoamides I.

Organic & Biomolecular Chemistry published new progress about Amidation (oxidative). 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Recommanded Product: 3-Acetylthiophene.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Qin, Zemin published the artcileSynthesis of Substituted Pyrimido[1,2-b]indazoles through (3+2+1) Cyclization of 3-Aminoindazoles, Ketones, and N,N-Dimethylaminoethanol as One-Carbon Synthon, Synthetic Route of 1468-83-3, the main research area is pyrimidoindazole preparation; aminoindazole ketone dimethylaminoethanol three component cyclization.

The 2-mono- or 2,3-disubstituted pyrimido[1,2-b]indazoles I (R1 = Ph, thiophen-2-yl, naphth-2-yl, etc.; R2 = H, Me; R3 = H, 10-Br, 9-Br, 8-Br, etc.) are synthesized by a (3+2+1) three-component cyclization of 3-aminoindazoles II, ketones R1C(O)CH2R2 and N,N-dimethylaminoethanol as a methine source. The reaction demonstrates good tolerance of both aromatic and aliphatic ketones, as well as various substitution patterns in air.

Advanced Synthesis & Catalysis published new progress about Cyclization ((3+2+1)). 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Synthetic Route of 1468-83-3.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Huang, Chun published the artcileDirect Synthesis of 4-Aryl-1,2,3-triazoles via I2-Promoted Cyclization under Metal- and Azide-Free Conditions, Category: benzothiophene, the main research area is aryl triazole preparation; methyl ketone para toluenesulfonyl hydrazine aminopyridinium iodide cyclization iodine.

Authors herein report an iodine-mediated formal [2 + 2 + 1] cyclization of Me ketones, p-toluenesulfonyl hydrazines, and 1-aminopyridinium iodide for preparation of 4-aryl-NH-1,2,3-triazoles under metal- and azide-free conditions. Notably, this is achieved using p-toluenesulfonyl hydrazines and 1-aminopyridinium iodide as azide surrogates, providing a novel route to NH-1,2,3-triazoles. Furthermore, this approach provides rapid and practical access to potent inhibitors of indoleamine 2,3-dioxygenase (IDO).

Journal of Organic Chemistry published new progress about Cyclization ([2+2+1]). 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Category: benzothiophene.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Shinde, Suraj R. published the artcileDiscovery of oxazole-dehydrozingerone based hybrid molecules as potential anti-tubercular agents and their docking for Mtb DNA gyrase, Recommanded Product: 3-Acetylthiophene, the main research area is oxazole dehydrozingerone hybrid preparation antitubercular docking Mtb DNA gyrase.

The oxazole-dehydrozingerone hybrid mols. I (R = 4-Br, 4-Cl, 3-F, etc.) and oxazole-dehydrozingerone-thiophene derivatives were synthesized via cyclization, coupling and aldol condensation reactions. Synthesized compounds were screened against Mycobacterium tuberculosis H37Rv, MDR, and XDR strains. Compound I (R = 4-NO2) showed potential activity of 6.25μg/mL against H37Rv, while compound I (R = 3-NO2) exhibited potential activity of 12.5μg/mL. For the XDR strain, structure I (R = 4-Br, 4-Cl) demonstrated moderate efficiency of 12.5μg/mL. All of the synthesized mols. were tested in comparison with a standard drug. Computational docking studies were performed for the active compound I (R = 4-NO2) against the enzyme Mtb DNA Gyrase. The outcomes of the presented research will broadly help to the researchers working on developing antituberculosis drugs.

Results in Chemistry published new progress about Microwave irradiation. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Recommanded Product: 3-Acetylthiophene.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Wang, Chunlian published the artcileCopper-catalyzed three-component N-alkylation of quinazolinones and azoles, Recommanded Product: 3-Acetylthiophene, the main research area is alkylated quinazolinone preparation; quinazolinone methyl ketone dimethylpropionamide alkylation coupling copper catalyst; azole alkylated preparation; methyl ketone azole dimethylpropionamide alkylation coupling copper catalyst.

Synthesis of N-alkylated heterocycles such as quinazolinones I [R = H, 7-Cl, 7-F, etc.; R1 = Ph, 4-MeC6H4, 4-FC6H4, etc.] and azoles II [R1 = H, 4-Me, 4-OMe, etc.; n = 0, 1, 2, 3; X = N, CH, Y = N = CH, Z = CH, N; R2 = H, 4-EtOC6H4, cyclopropyl, etc.] via Cu-catalyzed three-component N-alkylation coupling reaction of N-heteroarenes with Me ketones and DMPA as a carbon source was developed. Using Me ketones as alkylation reagents and DMPA (N,N’-dimethylpropionamide) as a carbon source, the reaction proceeded smoothly under the Cu-based oxidative system and led to a series of functionalized N-heterocycles including 4-quinazolinones, triazoles and pyrazoles.

Organic & Biomolecular Chemistry published new progress about Alkylation catalysts. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Recommanded Product: 3-Acetylthiophene.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Almohaywi, Basmah published the artcileDihydropyrrolones as bacterial quorum sensing inhibitors, Safety of 3-Acetylthiophene, the main research area is dihydropyyrolone preparation bacterial quorum sensing inhibitor SAR docking; Biofilm inhibition; Dihydropyrrolone; P. aeruginosa; Quorum sensing.

A range of dihydropyrrolone (DHP) analogs were synthesized via the lactone-lactam conversion of lactone intermediates. The synthesized compounds were tested for their ability to inhibit QS, biofilm formation and bacterial growth of Pseudomonas aeruginosa. The compounds were also docked into a LasR crystal structure to rationalize the observed structure-activity relationships. The most active compound identified in this study was 4-(4-bromophenyl)-5-methylene-1,5-dihydro-2H-pyrrol-2-one which showed 63.1% QS inhibition of at 31.25 μM and 60% biofilm reduction at 250 μM with only moderate toxicity towards bacterial cell growth.

Bioorganic & Medicinal Chemistry Letters published new progress about Antibacterial agents. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Safety of 3-Acetylthiophene.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Tighadouini, Said published the artcileNovel β-keto-enol Pyrazolic Compounds as Potent Antifungal Agents. Design, Synthesis, Crystal Structure, DFT, Homology Modeling, and Docking Studies, Synthetic Route of 1468-83-3, the main research area is antibacterial antifungal crystal structure mol docking pharmacol SAR DFT; keto enol pyrazole derivative preparation.

A new family of promising inhibitors bearing β-keto-enol functionality with greatly improved pharmacophore properties has been prepared Herein, a series of novel derivatives of β-keto-enol group embedded with pyrazolic moiety has been designed and synthesized via a one-step procedure using mixed Claisen condensation in the attempt to develop potential antifungal agents. The structures of the synthesized compounds were confirmed by elemental anal., FT-IR, ESI/LC-MS, and 1H and 13C NMR. In addition, X-ray diffraction anal. (XRD) was used to determine the single crystal structure of compound I. All of the new compounds have been evaluated for their in vitro antifungal and antibacterial activities. Interestingly, the results indicate that most of the compounds display notable antifungal activity close to that of the benomyl fungicide taken as the standard drug. For the most active compound and for benomyl, a correlation has been evidenced between the exptl. antifungal activity and the theor. predictions by DFT calculations and mol. docking against Fgb1 protein.

Journal of Chemical Information and Modeling published new progress about Antibacterial agents. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Synthetic Route of 1468-83-3.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Tighadouini, Said published the artcileSynthesis, Biochemical Characterization, and Theoretical Studies of Novel β-Keto-enol Pyridine and Furan Derivatives as Potent Antifungal Agents, Synthetic Route of 1468-83-3, the main research area is keto enol pyridine furan antifungal antibacterial mol docking dynamic.

In the present study, we report the design and synthesis of new derivatives of the β-keto-enol grafted on pyridine and furan moieties (L1-L11). Structures of compounds were fully confirmed by Fourier transform IR spectroscopy (FT-IR), 1H NMR, 13C NMR, electrospray ionization/liquid chromatog.-mass spectrometry (ESI/LC-MS), and elemental anal. The compounds were screened for antifungal and antibacterial activities (Escherichia coli, Bacillus subtilis, and Micrococcus luteus). In vitro evaluation showed significant fungicidal activity for I, II, and III against fungal strains (Fusarium oxysporum f.sp albedinis) compared to the reference standard Especially, the exceptional activity has been demonstrated for I with IC50 = 12.83μg/mL. This compound and the reference benomyl mol. also showed a correlation between exptl. antifungal activity and theor. predictions by Petra/Osiris/Molinspiration (POM) calculations and mol. coupling against the Fgb1 protein. The highest inhibition of bacterial growth for I is due to its strongest binding to the target protein. This report may stimulate the further synthesis of examples of this substance class for the development of new drugs.

ACS Omega published new progress about Antibacterial agents. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Synthetic Route of 1468-83-3.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Han, Zhengyu published the artcileEnantiodivergent Synthesis of Chiral Tetrahydroquinoline Derivatives via Ir-Catalyzed Asymmetric Hydrogenation: Solvent-Dependent Enantioselective Control and Mechanistic Investigations, COA of Formula: C6H6OS, the main research area is chiral tetrahydroquinoline preparation enantioselective; quinoline hydrogenation iridium catalyst.

Ir-catalyzed asym. hydrogenation of quinolines I (R = Me, Ph, naphthalen-2-yl, 2H-1,3-benzodioxol-5-yl, thiophen-3-yl, etc.; R1 = H, Me, Et, n-Pr; R2 = H, 5-Cl, 6-OMe, 7-Me, etc.) was developed, and both enantiomers of chiral tetrahydroquinoline derivatives ((R)/(S)/cis/trans)-II could be easily obtained, resp., in high yields with good enantioselectivities through the adjustment of reaction solvents (toluene/dioxane: up to 99% yield, 98% ee (R), TON = 680; EtOH: up to 99% yield, 94% ee (S), TON = 1680). It provided an efficient and simple synthetic strategy for the enantiodivergent synthesis of chiral tetrahydroquinolines ((R)/(S)/cis/trans)-II, and gram-scale asym. hydrogenation proceeded well with low-catalyst loading in these two reaction systems. A series of deuterium-labeling experiments, control experiments, and 1H NMR and electrospray ionization-mass spectrometry experiments have been conducted, and a reasonable and possible reaction process was revealed on the basis of these useful observations.

ACS Catalysis published new progress about Enantioselective synthesis. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, COA of Formula: C6H6OS.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem