Tag: M.W=100-150

Utaka, Masanori; Watabu, Hisashi; Higashi, Hiroshi; Sakai, Takashi; Tsuboi, Sadao; Torii, Sigeru published the artcile< Asymmetric reduction of aliphatic short- to long-chain β-keto acids by use of fermenting bakers' yeast>, COA of Formula: C5H10O3, the main research area is oxoalkanoic acid stereoselective reduction; fatty acid oxo stereoselective reduction; hydroxyalkanoic acid stereoselective preparation.

Me(CH2)nCOCH2CO2H (I, n = 0-4, 7-10, 12, 14) were reduced with fermenting bakers’ yeast to optically active Me(CH2)nCH(OH)CH2CO2H (II) isolated as their Me esters. In all cases, (R)-II acids were obtained in ≥98% enantiomeric excess (ee), except for I (n = 0), which afforded (S)-II (n = 0) in 86% ee. Inhibition of fermentation was observed for I (n = 7), but lowering of the substrate concentration was effective in decreasing the inhibition.

Journal of Organic Chemistry published new progress about Enzymic reduction, stereoselective. 73349-07-2 belongs to class esters-buliding-blocks, and the molecular formula is C5H10O3, COA of Formula: C5H10O3.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Du, Benni; Zhang, Weichao published the artcile< Kinetics and mechanisms of OH-induced 2-ethoxyethanol oxidation in the atmosphere>, Name: Ethyl 2-hydroxyacetate, the main research area is ethoxyethanol hydroxyl radical oxidation kinetics mechanism.

The mechanisms and kinetics for the reaction of 2-ethoxyethanol (2EE) with OH radicals in the presence of O2/NO were carried out using ab initio MO theory based on the QCISD(T)/6-311++G(d,p)//BH&HLYP/6-311++G(d,p) method in conjunction with transition state theory (TST) coupled with Wigner’s tunneling correction at temperatures between 200 and 1000 K. The calculated results indicate that ethylene glycol monoacetate [CH3C(O)OCH2CH2OH], ethylene glycol monoformate [HC(O)OCH2CH2OH], formaldehyde [HC(O)H], Et glycolate [CH3CH2OC(O)CH2OH], and Et formate [CH3CH2OC(O)H] can be the major products for the reaction of 2EE + OH in the presence of O2/NO, which are in excellent accord with the exptl. observations. The rate constant for the reaction of OH radicals with 2EE at 298 K is computed to be 3.14 x 10-11 cm3 mol.-1 s-1, which is in stronger agreement with the exptl. value given by Colmenar et al. (2.17 ± 0.11) x 10-11 cm3 mol.-1 s-1. In the temperature range of 200-1000 K, the calculated TST rate constants for the OH+2EE reaction can be expressed as a function of temperature with k = 1.15 x 10-14 x (T/298)3.9 x exp (2338.2/T) cm3 mol.-1 s-1.

Structural Chemistry published new progress about Atmospheric chemistry. 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Name: Ethyl 2-hydroxyacetate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Chang, Meng-Yang; Chen, Kuan-Ting published the artcile< Bi(OTf)3-Mediated (4+1) Annulation of α-Sulfonyl o-Hydroxyacetophenones with α-Hydroxy Arylketones to Access Sulfonyl 2-Aroylbenzofurans>, Quality Control of 623-50-7 , the main research area is sulfonyl aroylbenzofuran green preparation; hydroxyacetophenone sulfonyl hydroxy aryl ketone cyclocondensation bismuth trifluoromethanesulfonate mediated; methyl aroylbenzofuran green preparation; aryl ketone hydroxy acetophenone cyclocondensation bismuth trifluoromethanesulfonate mediated.

A high-yield, facile route for the scalable synthesis of sulfonyl 2-aroylbenzofurans I [R = Me, Ph, 4-MeC6H4, etc.; R1 = 5-Me, 5-F, 5-Cl, etc.; Ar = Ph, 4-MeC6H4, 2-naphthyl, etc.] via a Bi(OTf)3-mediated intermol. double cyclocondensation of α-sulfonyl o-hydroxyacetophenones with substituted α-hydroxy arylketones under mild open-vessel reaction conditions was described. Also, synthesis of 3-methyl-2-aroylbenzofurans II [R2 = 5-OMe, 5-F, 5-Cl, etc.; Ar1 = Ph, 4-BrC6H4, 2-thienyl, etc.] was obtained under same reaction conditions using o-hydroxyacetophenones with substituted α-hydroxy aryl ketones. In the overall reactions, water was generated as the only byproduct. Various metal triflate-promoted reactions and conditions were investigated for the efficient one-pot (4+1) annulation reaction.

Advanced Synthesis & Catalysis published new progress about Aromatic compounds, sulfones Role: PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Quality Control of 623-50-7 .

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Choi, Inkyu; Park, Yujin; Ryu, Il Young; Jung, Hee Jin; Ullah, Sultan; Choi, Heejeong; Park, Chaeun; Kang, Dongwan; Lee, Sanggwon; Chun, Pusoon; Young Chung, Hae; Moon, Hyung Ryong published the artcile< In silico and in vitro insights into tyrosinase inhibitors with a 2-thioxooxazoline-4-one template>, Recommanded Product: Ethyl 2-hydroxyacetate, the main research area is thioxooxazolineone template tyrosinase inhibitor insilico invitro insight; 2-thioxooxazoline-4-one; Anti-melanogenesis; Docking simulation; Kojic acid; Tyrosinase; β-phenyl-α,β-unsaturated carbonyl scaffold.

The β-phenyl-α,β-unsaturated carbonyl (PUSC) scaffold confers tyrosinase inhibitory activity, and in the present study, 16 (Z)-5-(substituted benzylidene)-3-phenyl-2-thioxooxazolidin-4-one analogs containing this scaffold were synthesized. Mushroom tyrosinase inhibitory activities were examined Compound 1c (IC50 = 4.70 ± 0.40 μM) and compound 1j (IC50 = 11.18 ± 0.54 μM) inhibited tyrosinase by 4.9 and 2.1-fold, resp., and did so more potently than kojic acid (IC50 = 23.18 ± 0.11 μM). Kinetic anal. of tyrosinase inhibition revealed that 1c and 1j inhibited tyrosinase competitively. Results of docking simulation with mushroom tyrosinase using four docking programs suggested that 1c and 1j bind more strongly than kojic acid to the active site of tyrosinase and supported kinetic findings that both compounds are competitive inhibitors. The docking results of human tyrosinase homol. model indicated that 1c and 1j can also strongly inhibit human tyrosinase. EZ-cytox assays revealed 1c and 1j were not cytotoxic to B16F10 melanoma cells. The effects of 1c and 1j on cellular tyrosinase activity and melanin production were also investigated in α-MSH- and IBMX-co-stimulated these cells. Both compounds significantly and dose-dependently reduced tyrosinase activity, and at 10 μM were more potent than kojic acid at 20μM. Compounds 1c and 1j also inhibited melanogenesis, which suggested that the inhibitory effects of these compounds on melanin production were mainly attributable to their inhibitions of tyrosinase. These results indicate that compounds 1c and 1j with the PUSC scaffold have potential use as whitening agents for the treatment of hyperpigmentation-associated diseases.

Computational and Structural Biotechnology Journal published new progress about Carbonyl compounds (organic), α,β-unsaturated Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Recommanded Product: Ethyl 2-hydroxyacetate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Arribas, Andres; Calvelo, Martin; Fernandez, David F.; Rodrigues, Catarina A. B.; Mascarenas, Jose L.; Lopez, Fernando published the artcile< Highly Enantioselective Iridium(I)-Catalyzed Hydrocarbonation of Alkenes: A Versatile Approach to Heterocyclic Systems Bearing Quaternary Stereocenters>, Quality Control of 623-50-7 , the main research area is alkenyl azaheterocycle iridium phosphine catalyst enantioselective regioselective hydrocarbonation; fused polycyclic azaheterocycle preparation; C-H activation; enantioselective; heterocycles; hydrocarbonation; iridium.

A versatile, highly enantioselective intramol. hydrocarbonation reaction that provides a direct access to heteropolycyclic systems bearing chiral quaternary carbon stereocenters was reported. The method, which relies on an iridium(I)/bisphosphine chiral catalyst, was particularly efficient for the synthesis of five-, six- and seven-membered fused indole and pyrrole products, bearing one and two stereocenters, with enantiomeric excesses of up to >99%. DFT computational studies allowed to obtain a detailed mechanistic profile and identify a cluster of weak non-covalent interactions as key factors to control the enantioselectivity.

Angewandte Chemie, International Edition published new progress about Amides Role: PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Quality Control of 623-50-7 .

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Hernandez-Ruiz, Raquel; Rubio-Presa, Ruben; Suarez-Pantiga, Samuel; Pedrosa, Maria R.; Fernandez-Rodriguez, Manuel A.; Tapia, M. Jose; Sanz, Roberto published the artcile< Mo-Catalyzed One-Pot Synthesis of N-Polyheterocycles from Nitroarenes and Glycols with Recycling of the Waste Reduction Byproduct. Substituent-Tuned Photophysical Properties>, Recommanded Product: Ethyl 2-hydroxyacetate, the main research area is polyheterocycle preparation green chem; nitroarene glycol tandem reduction imine formation intramol cyclization oxidation; dioxomolybdenum complex catalyst waste reuse; N-heterocycles; dioxomolybdenum; nitroaromatics; photophysical properties; reuse of waste.

A catalytic domino reduction-imine formation-intramol. cyclization-oxidation for the general synthesis of a wide variety of biol. relevant N-polyheterocycles, such as quinoxaline- and quinoline-fused derivatives, and phenanthridines, is reported. A simple, easily available, and environmentally friendly dioxomolybdenum(VI) complex has proven to be a highly efficient and versatile catalyst for transforming a broad range of starting nitroarenes involving several redox processes. Not only is this a sustainable, step-economical as well as air- and moisture-tolerant method, but also it is worth highlighting that the waste byproduct generated in the first step of the sequence is recycled and incorporated in the final target mol., improving the overall synthetic efficiency. Moreover, selected indoloquinoxalines have been photophys. characterized in cyclohexane and toluene with exceptional fluorescence quantum yields above 0.7 for the alkyl derivatives

Chemistry – A European Journal published new progress about Absorption spectra. 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Recommanded Product: Ethyl 2-hydroxyacetate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Koenig, Wilfried A.; Icheln, Detlef; Hardt, Ingo published the artcile< Unusual retention behavior of methyl lactate and methyl 2-hydroxybutyrate enantiomers on a modified cyclodextrin>, COA of Formula: C5H10O3, the main research area is methyl lactate enantiomer elution reversal GC; methyl hydroxybutyrate enantiomer elution behavior GC; gas chromatog enantiomer elution behavior; elution reversal enantiomer gas chromatog; cyclodextrin derivative stationary phase gas chromatog; butyryldipentyl cyclodextrin stationary phase gas chromatog; capillary gas chromatog elution reversal enantiomer.

Gas chromatog. elution behavior was investigated for Me lactate and Me 2-hydroxybutyrate enantiomers on a Pyrex capillary column coated with octakis(3-O-butyryl-2,6-di-O-pentyl)-γ cyclodextrin over the complete range of operating temperatures Elution order reversal was achieved for the Me lactate but not for the latter example.

Journal of High Resolution Chromatography published new progress about 73349-07-2. 73349-07-2 belongs to class esters-buliding-blocks, and the molecular formula is C5H10O3, COA of Formula: C5H10O3.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Koenig, Wilfried A.; Icheln, Detlef; Hardt, Ingo published the artcile< Unusual retention behavior of methyl lactate and methyl 2-hydroxybutyrate enantiomers on a modified cyclodextrin>, COA of Formula: C5H10O3, the main research area is methyl lactate enantiomer elution reversal GC; methyl hydroxybutyrate enantiomer elution behavior GC; gas chromatog enantiomer elution behavior; elution reversal enantiomer gas chromatog; cyclodextrin derivative stationary phase gas chromatog; butyryldipentyl cyclodextrin stationary phase gas chromatog; capillary gas chromatog elution reversal enantiomer.

Gas chromatog. elution behavior was investigated for Me lactate and Me 2-hydroxybutyrate enantiomers on a Pyrex capillary column coated with octakis(3-O-butyryl-2,6-di-O-pentyl)-γ cyclodextrin over the complete range of operating temperatures Elution order reversal was achieved for the Me lactate but not for the latter example.

Journal of High Resolution Chromatography published new progress about 73349-07-2. 73349-07-2 belongs to class esters-buliding-blocks, and the molecular formula is C5H10O3, COA of Formula: C5H10O3.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Ahmed, Farjad; Al-Mutairi, Eiman H.; Avery, Kathryn L.; Cullis, Paul M.; Primrose, William U.; Roberts, Gordon C. K.; Willis, Christine L. published the artcile< An unusual matrix of stereocomplementarity in the hydroxylation of monohydroxy fatty acids catalysed by cytochrome P450 from Bacillus megaterium with potential application in biotransformations>, SDS of cas: 73349-07-2, the main research area is cytochrome P450 hydroxymyristate hydroxylase Bacillus stereochem.

Cytochrome P450 from Bacillus megaterium catalyzes the diastereoselective hydroxylations of 13-hydroxymyristic acid, to predominantly erythro-12,13-dihydroxymyristic acid, of 12-hydroxymyristic acid to give predominantly threo-12,13-dihydroxymyristic acid, in reactions that are stereocomplementary and with considerable potential application in biotransformations.

Chemical Communications (Cambridge) published new progress about Bacillus megaterium. 73349-07-2 belongs to class esters-buliding-blocks, and the molecular formula is C5H10O3, SDS of cas: 73349-07-2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Kumar, Amit; Kumari, Neetu; Bhattacherjee, Sandeep; Venugopal, Umamageswaran; Parwez, Shahid; Siddiqi, Mohammad Imran; Krishnan, Manju Y.; Panda, Gautam published the artcile< Design, synthesis and biological evaluation of (Quinazoline 4-yloxy)acetamide and (4-oxoquinazoline-3(4H)-yl)acetamide derivatives as inhibitors of Mycobacterium tuberculosis bd oxidase>, Quality Control of 623-50-7 , the main research area is quinazolinyloxy acetamide preparation tuberculostatic SAR mol docking; oxoquinazolinyl acetamide preparation tuberculostatic SAR mol docking; (4-oxoquinazoline-3(4H)-yl)acetamide; (Quinazoline 4-yloxy)acetamide; Mycobacterium tuberculosis bd-oxidase.

A bc1 complex mutant of M. tuberculosis used to screen (Quinazoline 4-yloxy)acetamide and (4-oxoquinazoline-3(4H)-yl)acetamide derivatives against the alternate oxidase, i.e., cytochrome bd oxidase. Two mols., S-021-0601 and S-021-0607 were found to inhibit the mutant with MICs 8 and 16μM resp., compared to MICs of 128 and 256μM against the wild type M. tuberculosis. In the wild type, one of the compounds showed synergism with Q203, an inhibitor of bc1 complex, in inhibiting growth under aerobic conditions. Both compounds showed synergism with Q203 in depleting bacterial ATP and inhibiting oxygen consumption. Both the compounds at 32μM (one-fourth or one-eighth of their MICs for wild type) were bactericidal to wild type bacteria under hypoxic condition, causing ∼1.9 log10 reduction in viable counts which increased to ∼4-log10 when combined with Q203.

European Journal of Medicinal Chemistry published new progress about Acetamides Role: PAC (Pharmacological Activity), PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), RACT (Reactant or Reagent), PREP (Preparation), USES (Uses). 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Quality Control of 623-50-7 .

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics