Category: 623-50-7

Dong, Zhe; MacMillan, David W. C. published the artcile< Metallaphotoredox-enabled deoxygenative arylation of alcohols>, Electric Literature of 623-50-7 , the main research area is alc aryl halide deoxygenative arylation metallaphotoredox.

Metal-catalyzed cross-couplings are a mainstay of organic synthesis and are widely used for the formation of C-C bonds, particularly in the production of unsaturated scaffolds1. However, alkyl cross-couplings using native sp3-hybridized functional groups such as alcs. remain relatively underdeveloped2. In particular, a robust and general method for the direct deoxygenative coupling of alcs. would have major implications for the field of organic synthesis. A general method for the direct deoxygenative cross-coupling of free alcs. must overcome several challenges, most notably the in situ cleavage of strong C-O bonds3, but would allow access to the vast collection of com. available, structurally diverse alcs. as coupling partners4. Authors report herein a metallaphotoredox-based cross-coupling platform in which free alcs. are activated in situ by N-heterocyclic carbene salts for carbon-carbon bond formation with aryl halide coupling partners. This method is mild, robust, selective and most importantly, capable of accommodating a wide range of primary, secondary and tertiary alcs. as well as pharmaceutically relevant aryl and heteroaryl bromides and chlorides. The power of the transformation has been demonstrated in a number of complex settings, including the late-stage functionalization of Taxol and a modular synthesis of Januvia, an antidiabetic medication. This technol. represents a general strategy for the merger of in situ alc. activation with transition metal catalysis.

Nature (London, United Kingdom) published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Electric Literature of 623-50-7 .

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

Colmenar, Inmaculada; Salgado, Sagrario; Martin, Pilar; Aranda, Inmaculada; Tapia, Araceli; Cabanas, Beatriz published the artcile< Tropospheric reactivity of 2-ethoxyethanol with OH and NO3 radicals and Cl atoms. Kinetic and mechanistic study>, Formula: C4H8O3, the main research area is ethoxyethanol hydroxyl radical chlorine tropospheric reactivity.

Recent studies reveal that 2-ethoxyethanol (2EE) (CH3CH2OCH2CH2OH) is emitted from diesel/biodiesel blends used in vehicles. This compound has also been investigated in blends with diesel fuel for the reduction of CO emissions, hydrocarbons and particulate matter. In the work described here, rate coefficients for the reactions of OH and NO3 radicals and Cl atoms with 2EE have been determined at (298 鍗?2) K and a total pressure of 閳?00 torr using a relative rate method with SPME/GC-MSTOF (Solid Phase Microextraction/Gas Chromatog.-Mass Spectrometry Time of Flight Detection) and FTIR (Fourier Transform IR Spectroscopy) as detection techniques. The following rate coefficients (in cm3 mol.-1 s-1) have been obtained: (2.02 鍗?0.19)鑴?10-10, (2.17 鍗?0.11) 鑴?0-11 and (4.80 鍗?0.48) 鑴?10-15 for Cl, 璺疧H and 璺疦O3 reactions, resp. The product formation has also been investigated. Ethylene glycol monoacetate, ethylene glycol monoformate, formaldehyde, Et glycolate and Et formate have been identified as major products for 璺疧H and Cl reactions. The formation of nitrated compounds has also been observed for the reactions with 璺疦O3 and with Cl in the presence of NO. The products are explained by a mechanism involving initial attack of the oxidant at the methylene groups followed by subsequent reactions of the resulting alkyl and alkoxy radicals. The atm. lifetimes calculated for 2EE reveal that the dominant loss process for this compound is clearly the daytime reaction with the OH radical.

Atmospheric Environment published new progress about Absorption. 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

Gao, Dingding; Jin, Nan; Fu, Yixian; Zhu, Yueyue; Wang, Yujie; Wang, Ting; Chen, Yuehong; Zhang, Mingming; Xiao, Qiang; Huang, Min; Li, Yingxia published the artcile< Rational drug design of benzothiazole-based derivatives as potent signal transducer and activator of transcription 3 (STAT3) signaling pathway inhibitors>, Application In Synthesis of 623-50-7 , the main research area is breast cancer benzothiazole based derivative anticancer STAT3 drug design; Antitumor activity; Benzothiazole; Molecular docking; Rational design; STAT3 signaling pathway.

The cumulative evidence supports STAT3, a transcriptional mediator of oncogenic signaling, as a therapeutic target in cancer. The development of STAT3 inhibitors remain an active area of research as no inhibitors have yet to be approved for cancer treatment. In a continuing effort to develop more potent STAT3 inhibitors based on our previously identified hit compound 16w, a series of benzothiazole derivatives with unique binding mode in SH2 domain of STAT3 were designed, synthesized and biol. evaluated. Of note, compound B19 demonstrated excellent activity against IL-6/STAT3 signaling pathway with the IC50 value as low as 0.067娓璏 as determined by a luciferase reporter assay. Moreover, multiple compounds displayed potent antiproliferative activity against MDA-MB-468 and JAK2 mutant HEL cell lines. Further biochem. study using Western blot assay indicated that B19 blocked the phosphorylation of STAT3 at Tyr 705 and Ser 727 and thus suppressed STAT3-mediated gene expression of c-MYC and MCL-1. Simultaneously, it induced cancer cell G2/M phase arrest and apoptosis both in MDA-MB-468 and HEL cell lines. Finally, mol. docking study along with surface plasmon resonance (SPR) and fluorescence polarization (FP) assays disclosed the binding mode of B19 in STAT3 SH2 domain. Taken together, our finding suggests that B19 is a promising therapeutic STAT3 inhibitor for cancer treatment.

European Journal of Medicinal Chemistry published new progress about Acute erythroid leukemia. 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Application In Synthesis of 623-50-7 .

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

Dong, Zhe; MacMillan, David W. C. published the artcile< Metallaphotoredox-enabled deoxygenative arylation of alcohols>, Electric Literature of 623-50-7 , the main research area is alc aryl halide deoxygenative arylation metallaphotoredox.

Metal-catalyzed cross-couplings are a mainstay of organic synthesis and are widely used for the formation of C-C bonds, particularly in the production of unsaturated scaffolds1. However, alkyl cross-couplings using native sp3-hybridized functional groups such as alcs. remain relatively underdeveloped2. In particular, a robust and general method for the direct deoxygenative coupling of alcs. would have major implications for the field of organic synthesis. A general method for the direct deoxygenative cross-coupling of free alcs. must overcome several challenges, most notably the in situ cleavage of strong C-O bonds3, but would allow access to the vast collection of com. available, structurally diverse alcs. as coupling partners4. Authors report herein a metallaphotoredox-based cross-coupling platform in which free alcs. are activated in situ by N-heterocyclic carbene salts for carbon-carbon bond formation with aryl halide coupling partners. This method is mild, robust, selective and most importantly, capable of accommodating a wide range of primary, secondary and tertiary alcs. as well as pharmaceutically relevant aryl and heteroaryl bromides and chlorides. The power of the transformation has been demonstrated in a number of complex settings, including the late-stage functionalization of Taxol and a modular synthesis of Januvia, an antidiabetic medication. This technol. represents a general strategy for the merger of in situ alc. activation with transition metal catalysis.

Nature (London, United Kingdom) published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Electric Literature of 623-50-7 .

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

Colmenar, Inmaculada; Salgado, Sagrario; Martin, Pilar; Aranda, Inmaculada; Tapia, Araceli; Cabanas, Beatriz published the artcile< Tropospheric reactivity of 2-ethoxyethanol with OH and NO3 radicals and Cl atoms. Kinetic and mechanistic study>, Formula: C4H8O3, the main research area is ethoxyethanol hydroxyl radical chlorine tropospheric reactivity.

Recent studies reveal that 2-ethoxyethanol (2EE) (CH3CH2OCH2CH2OH) is emitted from diesel/biodiesel blends used in vehicles. This compound has also been investigated in blends with diesel fuel for the reduction of CO emissions, hydrocarbons and particulate matter. In the work described here, rate coefficients for the reactions of OH and NO3 radicals and Cl atoms with 2EE have been determined at (298 �2) K and a total pressure of �00 torr using a relative rate method with SPME/GC-MSTOF (Solid Phase Microextraction/Gas Chromatog.-Mass Spectrometry Time of Flight Detection) and FTIR (Fourier Transform IR Spectroscopy) as detection techniques. The following rate coefficients (in cm3 mol.-1 s-1) have been obtained: (2.02 �0.19)�10-10, (2.17 �0.11) �0-11 and (4.80 �0.48) �10-15 for Cl, 路OH and 路NO3 reactions, resp. The product formation has also been investigated. Ethylene glycol monoacetate, ethylene glycol monoformate, formaldehyde, Et glycolate and Et formate have been identified as major products for 路OH and Cl reactions. The formation of nitrated compounds has also been observed for the reactions with 路NO3 and with Cl in the presence of NO. The products are explained by a mechanism involving initial attack of the oxidant at the methylene groups followed by subsequent reactions of the resulting alkyl and alkoxy radicals. The atm. lifetimes calculated for 2EE reveal that the dominant loss process for this compound is clearly the daytime reaction with the OH radical.

Atmospheric Environment published new progress about Absorption. 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

Gao, Dingding; Jin, Nan; Fu, Yixian; Zhu, Yueyue; Wang, Yujie; Wang, Ting; Chen, Yuehong; Zhang, Mingming; Xiao, Qiang; Huang, Min; Li, Yingxia published the artcile< Rational drug design of benzothiazole-based derivatives as potent signal transducer and activator of transcription 3 (STAT3) signaling pathway inhibitors>, Application In Synthesis of 623-50-7 , the main research area is breast cancer benzothiazole based derivative anticancer STAT3 drug design; Antitumor activity; Benzothiazole; Molecular docking; Rational design; STAT3 signaling pathway.

The cumulative evidence supports STAT3, a transcriptional mediator of oncogenic signaling, as a therapeutic target in cancer. The development of STAT3 inhibitors remain an active area of research as no inhibitors have yet to be approved for cancer treatment. In a continuing effort to develop more potent STAT3 inhibitors based on our previously identified hit compound 16w, a series of benzothiazole derivatives with unique binding mode in SH2 domain of STAT3 were designed, synthesized and biol. evaluated. Of note, compound B19 demonstrated excellent activity against IL-6/STAT3 signaling pathway with the IC50 value as low as 0.067渭M as determined by a luciferase reporter assay. Moreover, multiple compounds displayed potent antiproliferative activity against MDA-MB-468 and JAK2 mutant HEL cell lines. Further biochem. study using Western blot assay indicated that B19 blocked the phosphorylation of STAT3 at Tyr 705 and Ser 727 and thus suppressed STAT3-mediated gene expression of c-MYC and MCL-1. Simultaneously, it induced cancer cell G2/M phase arrest and apoptosis both in MDA-MB-468 and HEL cell lines. Finally, mol. docking study along with surface plasmon resonance (SPR) and fluorescence polarization (FP) assays disclosed the binding mode of B19 in STAT3 SH2 domain. Taken together, our finding suggests that B19 is a promising therapeutic STAT3 inhibitor for cancer treatment.

European Journal of Medicinal Chemistry published new progress about Acute erythroid leukemia. 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Application In Synthesis of 623-50-7 .

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

Morino, Yusuke; Yatabe, Takafumi; Suzuki, Kosuke; Yamaguchi, Kazuya published the artcile< Cu/N-Oxyl-catalyzed aerobic oxidative esterification to oxalic acid diesters from ethylene glycol via highly selective intermolecular alcohol oxidation>, COA of Formula: C4H8O3, the main research area is oxalic acid diester preparation green chem; ethylene glycol primary sec alc aerobic oxidative esterification; copper tetramethylethylenediamine dimethyl azanoradamantane oxyl catalyst.

One of the ideal green esterification reactions is aerobic oxidative esterification using only a stoichiometric amount of different alcs. via intermol. selective alc. oxidation followed by hemiacetal formation by the addition of the other alc. and hemiacetal oxidation to esters. However, oxalic acid diester synthesis via oxidative esterification has not been reported to date, possibly owing to the difficulty of selectivity control of intermol. alc. oxidation and the chelating effects of ethylene glycol-derived alcs./hemiacetals on inhibiting oxidation catalysts. Herein, using a CuCl/tetramethylethylenediamine/1,5-dimethyl-9-azanoradamantane N-oxyl catalyst, authors describe a highly efficient aerobic oxidative esterification reaction of ethylene glycol to various oxalic acid diesters via selective oxidation of ethylene glycol-derived alcs./hemiacetals even in the presence of other aliphatic primary alcs. Notably, the green reaction works well using an ideal stoichiometric ratio of ethylene glycol and primary/secondary alcs. Thorough exptl. investigation and theor. calculations revealed that highly selective oxidative esterification is enabled by the preferential bidentate coordination of ethylene glycol-derived alcs./hemiacetals to the Cu(II) species, followed by efficient two-electron/one-proton transfer.

Green Chemistry published new progress about Dicarboxylic acids, diesters Role: SPN (Synthetic Preparation), PREP (Preparation). 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, COA of Formula: C4H8O3.

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

Patel, Meena V.; Peltier, Hillary M.; Matulenko, Mark A.; Koenig, John R.; C. Scanio, Marc J.; Gum, Rebecca J.; El-Kouhen, Odile F.; Fricano, Meagan M.; Lundgaard, Greta L.; Neelands, Torben; Zhang, Xu-Feng; Zhan, Cenchen; Pai, Madhavi; Ghoreishi-Haack, Nayereh; Hudzik, Thomas; Gintant, Gary; Martin, Ruth; McGaraughty, Steve; Xu, Jun; Bow, Daniel; Kalvass, John C.; Kym, Philip R.; DeGoey, David A.; Kort, Michael E. published the artcile< Discovery of (R)-(3-fluoropyrrolidin-1-yl)(6-((5-(trifluoromethyl)pyridin-2-yl)oxy)quinolin-2-yl)methanone (ABBV-318) and analogs as small molecule Nav1.7/ Nav1.8 blockers for the treatment of pain>, COA of Formula: C4H8O3, the main research area is quinoline preparation sodium channel blocker SAR pharmacokinetic.

An effort to identify selective, CNS-penetrant Nav1.7 blockers with oral activity, improved selectivity, good drug-like properties, and safety led to the discovery of 2-substituted quinolines I [R = piperazine-1-carbonyl, cyclobutylcarbamoyl, 2-oxo-2-(1-piperidyl)ethoxy, etc.; R1 = 4-NCC6H4, 2-pyridyl, 5-(trifluoromethyl)-2-pyridyl, etc.] and quinolones II [R2 = 4-NCC6H4, 4-NCC6H4O; R3 = 1-piperidylmethyl, 1-piperidylmethyl] as potent small mol. Nav1.7 blockers. The design of these mols. focused on maintaining potency at Nav1.7, improving selectivity over the hERG channel, and overcoming phospholipidosis observed with the initial leads. The structure-activity relationship (SAR) studies leading to the discovery of compound I [R = (3R)-3-fluoropyrrolidine-1-carbonyl, R1 = 5-(trifluoromethyl)-2-pyridyl] were described herein. The compound I [R = (3R)-3-fluoropyrrolidine-1-carbonyl, R1 = 5-(trifluoromethyl)-2-pyridyl] displayed robust in vivo efficacy in both inflammatory and neuropathic rodent models of pain. The compound I [R = (3R)-3-fluoropyrrolidine-1-carbonyl, R1 = 5-(trifluoromethyl)-2-pyridyl] also inhibited Nav1.8, another sodium channel isoform that was an active target for the development of new pain treatments.

Bioorganic & Medicinal Chemistry published new progress about Amides Role: PAC (Pharmacological Activity), PKT (Pharmacokinetics), 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, COA of Formula: C4H8O3.

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

Portnova, Svetlana V.; Kuzmina, Natalia S.; Yamshchikova, Yulia F.; Krasnykh, Eugene L. published the artcile< Density and Viscosity of Glycolic, Lactic, and Malic Acid Esters>, Quality Control of 623-50-7 , the main research area is density kinematic viscosity aliphatic ester glycolic lactic malic acid.

Densities and viscosities were measured as a function of temperature for 12 esters of glycolic, DL-lactic, and DL-malic acids and linear chain alcs. C1-C5. The d. and kinematic viscosity were obtained using a pycnometer and a Pinkevitch capillary viscometer in a temperature range of 293.15-363.15 K with accuracies of 0.1 and 0.35%, resp. The obtained data were used for dynamic viscosity calculation It was demonstrated that the viscosity-temperature dependence of esters was described by the ASTM D341 model with an average absolute relative deviation of 1%. The temperature dependence of dynamic viscosity was fitted using the Arrhenius-like equation and Vogel-Fulcher-Tammann (VFT) model. It was found that the adjustable parameters A and B have the similar value for compounds in one homologous series. These parameters were taken as constant for each series of esters of the corresponding acids. The dynamic viscosity-temperature dependence of esters was better described by the VFT model than the Arrhenius-like equation. The capabilities of some group-additivity methods for predicting d. have been reviewed and compared with exptl. results.

Journal of Chemical & Engineering Data published new progress about Aliphatic diesters Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), SPN (Synthetic Preparation), PROC (Process), 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

Battistelli, Noemi; Perpetuini, Giorgia; Piva, Andrea; Pepe, Alessia; Sidari, Rossana; Wache, Yves; Tofalo, Rosanna published the artcile< Cultivable microbial ecology and aromatic profile of ""mothers"" for Vino cotto wine production>, Reference of 623-50-7 , the main research area is Vino cotto wine microbial ecol aromatic profile; Acetic acid bacteria; Aroma compounds; Lactic acid bacteria; Osmotolerant yeast; Vino cotto.

The aim of the present study was to assess the cultivable microbiota of “”mothers”” of Vino cotto collected from production of different years 1890, 1895, 1920, 1975, 2008. A total of 73 yeasts and 81 bacteria were isolated. Starmerella lactis-condensi, Starmerella bacillaris, Hanseniaspora uvarum, Saccharomyces cerevisiae, Hanseniaspora guillermondi and Metschnikowia pulcherrima were identified. Bacteria isolates belonged to lactic acid bacteria (Lactiplantibacillus plantarum and Pediococcus pentosaceus) and acetic acid bacteria (Gluconobacter oxydans). Remarkable biodiversity was observed for Starm. bacillaris, as well as L. plantarum and G. oxydans. Organic acids and volatile compounds were also determined Malic and succinic acids were the main ones with values ranging from 8.49 g/L to 11.76 g/L and from 4.15 g/L to 7.73 g/L resp., while citric acid was present at low concentrations (<0.2 g/L) in all samples. Esters and higher alcs. were the main volatile compounds detected followed by alkanes. This study permits to better understand the microbial communities associated to this product and could be considered a starting point for the definition of tailored starter cultures to improve the quality of Vino cotto preserving its typical traits. Food Research International published new progress about Gluconobacter oxydans. 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Reference of 623-50-7 .

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