Category: 623-50-7

Kim, Seong Ju; Um, Byung Hwan published the artcile< Effect of thermochemically fractionation before hydrothermal liquefaction of herbaceous biomass on biocrude characteristics>, Formula: C4H8O3, the main research area is Miscanthus kenaf phenol hydrothermal liquefaction high performance liquid chromatog.

Hydrothermal liquefaction (HTL) of fractionated two types herbaceous biomass (kenaf and miscanthus) by dilute acid, organosolv, alk., or demineralization process was carried out under ethanol water co-solvent at 350°C for 30 min to examine the biocrude yield and characteristics. The biocrude properties were comprehensively characterized by HPLC, elemental, GC-MS, and TGA anal. Fractionation technologies before HTL effectively increased biocrude yield up to 38% compared to that of untreated herbaceous biomass (31%), except for organosolv fractionation of miscanthus, especially, HTL after alk. fractionation showed high yield and energy recovery ratio up to 70%. Elemental anal. showed that HHV of biocrude was neg. affected by hydrolysis reaction of high lignin content after dilute acid fractionation. The GC-MS anal. revealed that carbohydrates-derived compound significantly increased in the biocrude obtained after organosolv and alk. fractionation due to holocellulose increases through fractionation process. Addnl., TGA results indicated that the ratio of high-boiling-point compounds in biocrude obtained after demineralization was expanded compared with untreated due to ash removal, which could act as a catalyst.

Renewable Energy published new progress about Biodiesel fuel. 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Formula: C4H8O3.

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

Pryde, David C.; Middya, Sandip; Banerjee, Monali; Shrivastava, Ritesh; Basu, Sourav; Ghosh, Rajib; Yadav, Dharmendra B.; Surya, Arjun published the artcile< The discovery of potent small molecule activators of human STING>, Name: Ethyl 2-hydroxyacetate, the main research area is human STING activator preparation oxindole benzothiazine quinoline oxazine benzazepine; Cytokines; Immunotherapy; Interferon genes; STING.

The adaptor protein STING plays a major role in innate immune sensing of cytosolic nucleic acids, by triggering a robust interferon response. Despite the importance of this protein as a potential therapeutic target for serious unmet medical conditions including cancer and infectious disease there remains a paucity of STING ligands. Starting with a benzothiazinone series of weak STING activators (human EC50 ∼10μM) we identified several chemotypes with sub-micromolar STING activity across all the major protein polymorphs. An example compound I, based on an oxindole core structure, demonstrated robust on-target functional activation of STING (human EC50 185 nM) in immortalized and primary cells and a cytokine induction fingerprint consistent with STING activation. Our study has identified several related series of potent small mol. human STING activators with potential to be developed as immunomodulatory therapeutics.

European Journal of Medicinal Chemistry published new progress about Homo sapiens. 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

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

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

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

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

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

Wang, Meilin; Yao, Dawei; Li, Antai; Yang, Youwei; Lv, Jing; Huang, Shouying; Wang, Yue; Ma, Xinbin published the artcile< Enhanced Selectivity and Stability of Cu/SiO2 Catalysts for Dimethyl Oxalate Hydrogenation to Ethylene Glycol by Using Silane Coupling Agents for Surface Modification>, Recommanded Product: Ethyl 2-hydroxyacetate, the main research area is selectivity copper SiO2 catalyst dimethyl oxalate hydrogenation.

Hydrogenation of di-Me oxalate (DMO) is one of the key steps in the route of ethylene glycol (EG) production from syngas. Cu/SiO2 catalysts prepared by ammonia evaporation method are reported to present excellent catalytic performance for selective DMO hydrogenation and used in the industry. However, the selectivity of EG and the long-term stability of catalysts still require improvement. Herein, we used silane coupling agents to selectively and efficiently cover the surface isolated hydroxyl groups on Cu/SiO2 by post-grafting method, which exhibited a prominently promotion effect on reducing the selectivity of byproducts (C3-C4OH) and enhancing the catalytic stability. Characterization results suggested that both the d. and intensity of the basic sites decreased significantly after the coverage of hydroxyl groups, resulting in the reduction of C3-C4OH selectivity, thus increasing the EG selectivity. Meanwhile, the coke and blocked pore structure induced by excessive Me glycolate (MG) adsorption and polymerization on surface hydroxyl groups could be the main reason for catalyst deactivation. After the surface modification, MG desorption was greatly facilitated, which improved the stability in DMO hydrogenation. Furthermore, the effect of different silane coupling agents ended with amino or alkyl groups was studied as well. These insights concerning the effect of covering hydroxyl groups by silane coupling agents on selectivity and stability may provide practical guidance for the design and fabrication of Cu/SiO2 catalysts for the industrial application.

Industrial & Engineering Chemistry Research published new progress about Binding energy. 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

Wang, Lei; Zhou, Xia; Lu, Hui; Mu, Xianfu; Jin, Linhong published the artcile< Synthesis and antibacterial evaluation of novel 1,3,4-oxadiazole derivatives containing sulfonate/carboxylate moiety>, Category: esters-buliding-blocks, the main research area is sulfonate carboxylate oxadiazole preparation agrochem antibacterial activity; 1,3,4-oxadiazole derivatives; antibacterial activity; scanning electron microscopy; xanthomonas axonopodis pv. Citri; xanthomonas oryzae pv. oryzae.

Novel sulfonate/carboxylate functionalized 1,3,4-oxadiazole derivatives I (R1 = Me, Et, 2-fluoroethyl; R2 = Ph, 2-fluorophenyl, 4-chlorophenyl, etc.) and II [R1 = Me; R3 = Ph, 4-bromophenyl, N(CH3)2, etc.] were synthesized and evaluated for their antibacterial activities. Antibacterial activity against two phytopathogens, Xanthomonas oryzae pv. oryzae (Xoo) and Xanthomonas axonopodis pv. citri (Xac), was assayed in vitro. The preliminary results indicated that ten compounds including I [R1 = Ph, R2 = Me (A); R1 = 4-fluorophenyl, R2 = Me (B); R1 = 4-chlorophenyl, R2 = Me (C); R1 = 4-bromophenyl, R2 = Me (D); R1 = 4-fluorophenyl, R2 = Et; R1 = 4-chlorophenyl, R2 = Et; R1 = 4-bromophenyl, R2 = Et; R1 = 4-fluorophenyl, R2 = 2-fluoroethyl; R1 = 4-chlorophenyl, R2 = 2-fluoroethyl; R1 = 4-bromophenyl, R2 = 2-fluoroethyl] had good antibacterial activity against Xoo, with EC50 values ranging from 50.1-112.5μM, which was better than those of Bismerthiazol (253.5μM) and thiadiazole copper (467.4μM). Meanwhile, compounds(A), (B), (C), (D) demonstrated good inhibitory effect against Xanthomonas axonopodis pv. citri with EC50 values around 95.8-155.2μM which were better than those of bismerthiazol (274.3μM) and thiadiazole copper (406.3μM). In addition, in vivo protection activity of compounds (B), (C) against rice bacterial leaf blight was 68.6% and 62.3%, resp., which were better than bismerthiazol (49.6%) and thiadiazole copper (42.2%). Curative activity of compounds (B), (C) against rice bacterial leaf blight was 62.3% and 56.0%, which were better than bismerthiazol (42.9%) and thiadiazole copper (36.1%). Through SEM (SEM) anal., it was observed that compound (B) caused the cell membrane of Xanthomonas oryzae pv. oryzae ruptured or deformed. The present results indicated novel derivatives of 4-Ph sulfonate Me 1,3,4-oxadiazole I might be potential antibacterial agents.

Molecules published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Category: esters-buliding-blocks.

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