Tag: M.W=100-150

An article Functionalized Allyl Aryl Ether Synthesis from Benzoic Acids Using a Dearomatization and Decarboxylative Allylation Approach WOS:000456632800018 published article about RADICAL CYCLIZATION; RAPID ACCESS; ETHERIFICATION; REARRANGEMENT; CONSTITUENTS; DERIVATIVES; GENERATION; PHENOL in [Hsieh, Cheng-En; Jiang, Yu-Min; Chou, Chih-Ming] Natl Univ Kaohsiung, Dept Appl Chem, 700 Kaohsiung Univ Rd, Kaohsiung 81148, Taiwan in 2019.0, Cited 55.0. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7. Product Details of 99-04-7

A strategy toward the preparation of substituted allyl aryl ethers from benzoic acids via a dearomatization and decarboxylative allylation (DcA) reaction is presented. The benzoic acids undergo a dearomatization to give alkylated 2,5-cyclohexadienyl ketoesters which are subjected to a palladium-catalyzed DcA reaction, providing a variety of functionalized allyl aryl ethers. In addition, the combination of a resonance stabilized DcA reaction with a Claisen rearrangement for the synthesis of multisubstituted phenols and applying to dihydroplicatin B derivative synthesis is also presented.

About 3-Methylbenzoic acid, If you have any questions, you can contact Hsieh, CE; Jiang, YM; Chou, CM or concate me.. Product Details of 99-04-7

Reference:
Isothiazole – Wikipedia,
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Authors Hu, XQ; Hou, YX; Liu, ZK; Gao, Y in ROYAL SOC CHEMISTRY published article about in [Hu, Xiao-Qiang; Hou, Ye-Xing; Liu, Zi-Kui] South Cent Univ Nationalities, Sch Chem & Mat Sci, Minist Educ, Key Lab Catalysis & Energy Mat Chem, Wuhan 430074, Peoples R China; [Hu, Xiao-Qiang; Hou, Ye-Xing; Liu, Zi-Kui] South Cent Univ Nationalities, Sch Chem & Mat Sci, Hubei Key Lab Catalysis & Mat Sci, Wuhan 430074, Peoples R China; [Gao, Yang] Guangdong Univ Technol, Sch Chem Engn & Light Ind, Guangzhou 510006, Peoples R China in 2021, Cited 81. Computed Properties of C8H8O2. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

A facile ruthenium-catalysed C-H/C-N bond activation and the subsequent annulation of readily available benzoic acids with in situ generated formaldimines are reported. The choice of solvent and base is critical for this reaction. This protocol allows the efficient synthesis of a wide range of biologically important isoindolinones in useful to excellent yields without the use of any external oxidants. The late-stage modification of bioactive acids such as adapalene, bexarotene and flufenamic acid demonstrated the synthetic utility of this methodology.

About 3-Methylbenzoic acid, If you have any questions, you can contact Hu, XQ; Hou, YX; Liu, ZK; Gao, Y or concate me.. Computed Properties of C8H8O2

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Recently I am researching about CORRELATED MOLECULAR CALCULATIONS; INDEPENDENT CHEMICAL-SHIFTS; PI-ELECTRON DELOCALIZATION; GAUSSIAN-BASIS SETS; THEORETICAL CALCULATION; IONIZATION-POTENTIALS; OVERTONE SPECTROSCOPY; QUANTITATIVE CONCEPT; AB-INITIO; RESONANCE, Saw an article supported by the SERB from the Department of Science and Technology (DST) Government of India, New Delhi [EMR/2016/001090]; UGC, Government of IndiaUniversity Grants Commission, India; DST, Government of IndiaDepartment of Science & Technology (India); U.S. National Science FoundationNational Science Foundation (NSF) [CHE-1661604]; IITK. Published in AMER INST PHYSICS in MELVILLE ,Authors: Dey, S; Manogaran, D; Manogaran, S; Schaefer, HF. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid. Formula: C8H8O2

Benzene and 23 monosubstituted and 32 disubstituted derivatives of benzene were optimized for minimum energy structures using the B3LYP/cc-pVTZ method. The force fields of all the compounds were evaluated at their optimized geometries using the same method and basis set. In order to understand the effect of substitution(s) on the aromaticity of benzene, the aromaticity index based on interaction coordinates (AIBIC) values were computed for each and the change from the benzene value was obtained. This difference, the substituent effect based on interaction coordinates (SEBIC), quantifies the effect of the substituent on the aromaticity of benzene ring satisfactorily. It is found that the AIBIC of disubstituted benzenes (XC6H4Y) could be predicted well by adding the respective SEBIC(C6H5X) and SEBIC(C6H5Y) values to the AIBIC of benzene. The projected force fields of the meta and para fragments of the monosubstituted benzenes when chosen properly contain the information about the directing influence of the substituent in terms of the electron density based on interaction coordinates (EDBIC). When the EDBIC(para) > EDBIC(meta) relative to benzene, the substituent is ortho-para directing, while when the reverse is true, it is meta directing. The effect of conformational changes on aromaticity has been studied using aminophenols and dihydroxybenzenes. The additivity rule and the EDBIC concept work adequately well in that the methods can have several useful practical applications that will benefit various areas of science. A good understanding of the substituent effects and the ability to predict them should add a new dimension to the applications of AIBIC.

Formula: C8H8O2. About 3-Methylbenzoic acid, If you have any questions, you can contact Dey, S; Manogaran, D; Manogaran, S; Schaefer, HF or concate me.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Product Details of 99-04-7. Mandal, A; Garai, B; Dana, S; Bera, R; Baidya, M in [Mandal, Anup; Garai, Bholanath; Dana, Suman; Bera, Ratnadeep; Baidya, Mahiuddin] Indian Inst Technol Madras, Dept Chem, Chennai 600036, Tamil Nadu, India published Cross-Dehydrogenative Coupling/Annulation of Arene Carboxylic Acids and Alkenes in Water with Ruthenium(II) Catalyst and Air in 2020.0, Cited 72.0. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

A cross-dehydrogenative coupling of arene carboxylic acids with olefins is reported with ruthenium(II) catalyst employing air and water as green oxidant and solvent, respectively. It offers a robust synthesis of valuable phthalide molecules. A one-pot sequential strategy is also disclosed to access Heck-type products that are apparently difficult to make directly from arene carboxylic acids.

About 3-Methylbenzoic acid, If you have any questions, you can contact Mandal, A; Garai, B; Dana, S; Bera, R; Baidya, M or concate me.. Product Details of 99-04-7

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

HPLC of Formula: C8H10O2. Wang, YL; Liu, Y; He, JH; Zhang, YT in [Wang, Yinling; Liu, Yue; He, Jianghua; Zhang, Yuetao] Jilin Univ, Coll Chem, State Key Lab Supramol Struct & Mat, Changchun 130012, Jilin, Peoples R China published Redox-neutral photocatalytic strategy for selective C-C bond cleavage of lignin and lignin models via PCET process in 2019, Cited 62. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0.

It remains challenging to achieve the selective cleavage of C-C bonds in lignin or lignin model compounds to produce aromatic products in high yield and selectivity. We have developed a redox-neutral photocatalytic strategy to accomplish this goal in both beta-O-4 and beta-1 lignin models at room temperature (RT) via proton-coupled electron transfer (PCET) process without any pretreatments of substrate, by adjusting the alkalinity of base to obtain a lignin models/base PCET pair with a bond dissociation free energy close to 102 kcal/mol. Without breaking down C-beta-C-gamma bond and any C-O bonds, this PCET method is 100% atom economy and produces exclusive C-alpha-C-beta bond cleavage products, such as benzaldehydes (up to 97%) and phenyl ethers (up to 96%), in high to excellent yields and selectivities. Preliminary studies indicated that the PCET strategy is also effective for the depolymerization of native lignin at RT, thus providing significantly important foundation to the depolymerization of lignin. (C) 2019 Science China Press. Published by Elsevier B.V. and Science China Press. All rights reserved.

About 1,3-Dimethoxybenzene, If you have any questions, you can contact Wang, YL; Liu, Y; He, JH; Zhang, YT or concate me.. HPLC of Formula: C8H10O2

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Safety of 3-Methylbenzoic acid. Zheng, XJ; Li, CS; Cui, MY; Song, ZW; Bai, XQ; Liang, CW; Wang, HY; Zhang, TY in [Zheng, Xian-Jing; Song, Ze-Wen; Bai, Xue-Qian; Liang, Cheng-Wu; Wang, Hui-Yan; Zhang, Tian-Yi] Jilin Med Univ, Jilin 132013, Jilin, Peoples R China; [Li, Chun-Shi; Cui, Ming-Yue] Third Peoples Hosp Dalian, Dalian 116000, Liaoning, Peoples R China; [Zheng, Xian-Jing; Song, Ze-Wen] Yanbian Univ, Dept Pharm, Yanji 133002, Jilin, Peoples R China published Synthesis, biological evaluation of benzothiazole derivatives bearing a 1,3,4-oxadiazole moiety as potential anti-oxidant and anti-inflammatory agents in 2020, Cited 26. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

Twenty benzothiazole derivatives bearing a 1,3,4-oxadiazole moiety were synthesized and evaluated for their anti-oxidant and anti-inflammatory activities. Among these compounds, 8h and 81 were appeared to have high radical scavenging efficacies as 0.05 +/- 0.02 and 0.07 +/- 0.03 mmol/L of IC50, values in ABTS(+center dot) bioassay, respectively. In anti-inflammatory tests, compound 8h displayed good activity with 57.35% inhibition after intraperitoneal administration, which was more potent than the reference drug (indomethacin). Molecular modeling studies were performed to investigate the binding mode of the representative compound 8h into COX-2 enzyme. In vitro enzyme study implied that compound 8h exerted its anti-inflammatory activity through COX-2 inhibition.

About 3-Methylbenzoic acid, If you have any questions, you can contact Zheng, XJ; Li, CS; Cui, MY; Song, ZW; Bai, XQ; Liang, CW; Wang, HY; Zhang, TY or concate me.. Safety of 3-Methylbenzoic acid

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

An article Controlling reactivity in the Fujiwara-Moritani reaction: Examining solvent effects and the addition of 1,3-dicarbonyl ligands on the oxidative coupling of electron rich arenes and acrylates WOS:000512482000005 published article about C-H OLEFINATION; BOND ACTIVATION; CATALYZED OLEFINATION; AROMATIC-SUBSTITUTION; MIZOROKI-HECK; PD; ARYLATION; ALKENYLATION; DERIVATIVES; ETHYLENE in [Jones, Roderick C.] Univ Coll Dublin, Sch Chem & Bioproc Engn, Dublin 4, Ireland in 2020, Cited 73. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0. Quality Control of 1,3-Dimethoxybenzene

A palladium-catalysed direct alkenation of electron rich arenes in the presence of K2S2O8 with an acetic acid/1,4-dioxane solvent combination has been developed. The 1,4-dioxane co-solvent dramatically influences the rate of reaction, giving selectively disubstituted alkenes, while the addition of acetylacetone ligands was shown to increase site selectivity for the alkenation of monofunctionalized arenes. The participation of these carbonyl ligands has been confirmed by ESI-MS studies, with some key in situ intermediates in the catalytic cycle identified. A variety of electron rich arenes and olefinic substrates can be utilised in the direct oxidative coupling to give disubstituted alkenes in moderate to good yields. (C) 2019 Elsevier Ltd. All rights reserved.

Quality Control of 1,3-Dimethoxybenzene. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Jones, RC or concate me.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Recently I am researching about CROSS-COUPLING REACTIONS; HIGHLY-ACTIVE CATALYST; EFFICIENT SYNTHESIS; PHOSPHINE; TRANSMETALATION; COMPLEXES; AMINATION; SCOPE, Saw an article supported by the VinnovaVinnova [INNOV 2015/29]; [2016-02110]. Published in WILEY-V C H VERLAG GMBH in WEINHEIM ,Authors: Byrne, L; Skold, C; Norrby, PO; Munday, RH; Turner, AR; Smith, PD. The CAS is 151-10-0. Through research, I have a further understanding and discovery of 1,3-Dimethoxybenzene. SDS of cas: 151-10-0

Here we describe the development of biaryl 2,5-diphenylphospholanes as a new class of C-2-symmetric, monodentate ligands for asymmetric Suzuki-Miyaura (ASM) reactions. Screening of a series of exemplary phospholanes led to the identification of two ligands that were used to prepare a range of atropisomeric biaryl and heterobiaryl products with good to excellent levels of enantioselectivity (up to 97:3 e.r.) under mild conditions. DFT studies suggest that the formation of a constraining ligand pocket and coordination of one of the biaryl methoxy groups in the optimised ligands to the metal centre is crucial for restricting conformational freedom in the bond-forming step.

SDS of cas: 151-10-0. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Byrne, L; Skold, C; Norrby, PO; Munday, RH; Turner, AR; Smith, PD or concate me.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Name: 1,3-Dimethoxybenzene. I found the field of Chemistry very interesting. Saw the article Regioselective C-H Thioarylation of Electron-Rich Arenes by Iron(III) Triflimide Catalysis published in 2021, Reprint Addresses Sutherland, A (corresponding author), Univ Glasgow, Sch Chem, WestCHEM, Joseph Black Bldg, Glasgow G12 8QQ, Lanark, Scotland.. The CAS is 151-10-0. Through research, I have a further understanding and discovery of 1,3-Dimethoxybenzene.

A mild and regioselective method for the preparation of unsymmetrical biaryl sulfides using iron(III) catalysis is described. Activation of N-(arylthio)succinimides using the powerful Lewis acid iron(III) triflimide allowed the efficient thiolation of a range of arenes, including anisoles, phenols, acetanilides, and N-heterocycles. The method was applicable for the late-stage thiolation of tyrosine and tryptophan derivatives and was used as the key step for the synthesis of pharmaceutically relevant biaryl sulfur-containing compounds such as the antibiotic dapsone and the antidepressant vortioxetine. Kinetic studies revealed that while N-(arylthio)succinimides lbearing electron-deficient arenes underwent thioarylation catalyzed entirely by iron(III) triflimide, N-(arylthio)succinimides with electron-rich arenes displayed an autocatalytic mechanism promoted by the Lewis basic product.

Name: 1,3-Dimethoxybenzene. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Dodds, AC; Sutherland, A or concate me.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Category: isothiazole. In 2020 J AGR FOOD CHEM published article about CUL3-BASED E3 LIGASE; OXIDATIVE STRESS; THERAPEUTIC TARGET; PC12 CELLS; NEURODEGENERATIVE DISEASES; MITOCHONDRIAL DYSFUNCTION; KEAP1-NRF2-ARE PATHWAY; BIOLOGICAL EVALUATION; HYDROGEN-PEROXIDE; CANCER PREVENTION in [Song, Zi-Long; Bai, Feifei; Zhang, Baoxin; Fang, Jianguo] Lanzhou Univ, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China; [Song, Zi-Long; Bai, Feifei; Zhang, Baoxin; Fang, Jianguo] Lanzhou Univ, Coll Chem & Chem Engn, Lanzhou 730000, Peoples R China in 2020, Cited 70. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

Oxidative stress is implicated in the pathogenesis of a wide variety of neurodegenerative disorders, and accordingly, dietary supplement of exogenous antioxidants or/and upregulation of the endogenous antioxidant defense system are promising for therapeutic intervention or chemoprevention of neurodegenerative diseases. Nrf2, a master regulator of the cellular antioxidant machinery, cardinally participates in the transcription of cytoprotective genes against oxidative/electrophilic stresses. Herein, we report the synthesis of 59 structurally diverse dithiolethiones and evaluation of their neuroprotection against 6-hydroxydopamine- or H2O2 -induced oxidative damages in PC12 cells, a neuron-like rat pheochromocytoma cell line. Initial screening identified compounds 10 and 11 having low cytotoxicity but conferring remarkable protection on PC12 cells from oxidative-mediated damages. Further studies demonstrated that both compounds upregulated a battery of antioxidant genes as well as corresponding genes’ products. Significantly, silence of Nrf2 expression abolishes cytoprotection of 10 and 11, indicating targeting Nrf2 activation is pivotal for their cellular functions. Taken together, the two lead compounds discovered here with potent neuroprotective functions against oxidative stress via Nrf2 activation merit further development as therapeutic or chemopreventive candidates for neurodegenerative disorders.

Category: isothiazole. About 3-Methylbenzoic acid, If you have any questions, you can contact Song, ZL; Bai, FF; Zhang, BX; Fang, JG or concate me.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com