31490-53-6

Upstream product

• 490-78-8 2,5-Dihydroxyacetophenone 

Downstream Products

• 7714-52-5 2-(1-hydroxyethyl)-1,4-benzoquinone 
• 2349-70-4 2-ethylhydroquinone 

Relevant academic research and scientific papers

THIAZOLE COMPOUNDS USEFUL AS ACETYL-COA CARBOXYLASE (ACC) INHIBITORS

The present invention provides thiazole compounds of Formula I or its pharmaceutically acceptable salts, prodrugs, solvates, N-oxide thereof; solvates of pharmaceutically acceptable salts and N-oxides; pharmaceutically acceptable salts of N-oxides, or prodrugs; or combination or mixtures thereof; (I) The present invention further provides a method for preventing or treating a condition that responds to an Acetyl-CoA Carboxylase (ACC) inhibitor by using compounds of formula (I) or ), its pharmaceutically acceptable salts, prodrugs, solvates, N-oxide thereof; solvates of pharmaceutically acceptable salts and N-oxides; pharmaceutically acceptable salts of N-oxides, or prodrugs; or combination or mixtures thereof.

Conformational analysis and interpretation of ν(OH) bands in the IR spectra of 1′-hydroxyethyl derivatives of 1,4-benzo- and 5,8-dihydroxy-1,4-naphthoquinones: A DFT study

Detailed conformational analysis of the molecule of 1′-hydroxyethyl- 1,4-benzoquinone (3) by the B3LYP/cc-pVTZ method revealed predominance of rotamers with the free 1′-OH group in the gas phase. B3LYP/cc-pVTZ calculations with inclusion of solvent (cyclohexane) effect in the framework of the polarizable continuum model predict an increase in the percentage of such rotamers compared to the corresponding gas-phase values. The results obtained are in qualitative agreement with the experimentally observed pattern of ν(OH) bands in the IR spectrum of compound 3 in cyclohexane (hexane) solution. Conformational analysis, in cluding tautomerism and rotamerism, of 2-ethyl-1′,5,8-trihydroxy-1,4-naphthoquinone (2) was performed by the B3LYP method with the 6-31G(d), 6-311G(d), 6-311G(d,p), and cc-pVDZ basis sets. The most abundant tautomeric form of compound 2 is form A in which the substituent bearing 1 '-OH group is in the quinonoid nucleus. In the gas phase, the percentage of all rotamers in form A is about 86% (among them, the proportion of rotamers with the free 1'-OH group is more than 60%). The main reason for splitting of the v(OH) bands in the IR spectra of compounds 2 and 3 in solutions in nonpolar solvents is the equilibrium between rotamers with a relatively weak intramolecular hydrogen bond between the 1′-OH group and the carbonyl group and those having no this bond.

Aerobic oxidation of hydroquinone derivatives catalyzed by polymer-incarcerated platinum catalyst

(Chemical Equation Presented) It's a lock-in! A remarkably wide substrate scope of hydroquinones are oxidized to quinones in high yields in a platinum-catalyzed process with as low as 0.05 mol% catalyst. The aerobic oxidation is catalyzed by platinum nanoclusters trapped in a styrene-based polymer network (see scheme, PI Pt=polymer-incarcerated nanoclusters). The catalyst could be reused at least 13 times without any loss of catalytic activity.

DEOXYGENATION OF ALDEHYDES AND KETONES WITH SODIUM CYANOBOROHYDRIDE

Treatment of hydroxy-substituted aromatic aldehydes and ketones with sodium cyanoborohydride yields the corresponding methylene compounds under conditions which favor intermediate carbonium ion formation.