Category: 99-04-7

Feng, YX; Wang, YY; Zhao, S; Zhang, DP; Li, XJ; Liu, H; Dong, YH; Sun, FG in [Feng, Yunxia; Wang, Yangyang; Zhao, Shen; Zhang, Dao-Peng; Li, Xinjin; Liu, Hui; Dong, Yunhui; Sun, Feng-Gang] Shandong Univ Technol, Sch Chem & Chem Engn, 266 West Xincun Rd, Zibo 255049, Peoples R China published A practical ortho-acylation of aryl iodides enabled by moisture-insensitive activated esters via palladium/norbornene catalysis in 2020.0, Cited 80.0. Computed Properties of C8H8O2. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

A novel ortho-arene C-H acylation of aryl iodides catalyzed by the palladium/norbornene cooperative system by employing triazine esters has been developed, leading to the synthesis of polysubstituted aryl ketones. This ortho-acylation even proceeds smoothly in water. Preliminary mechanistic experiments indicate that the strong electron-withdrawing ability and coordination chemistry of triazine play crucial roles in this transformation.

Computed Properties of C8H8O2. About 3-Methylbenzoic acid, If you have any questions, you can contact Feng, YX; Wang, YY; Zhao, S; Zhang, DP; Li, XJ; Liu, H; Dong, YH; Sun, FG or concate me.

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Name: 3-Methylbenzoic acid. Cebular, K; Bozic, BD; Stavber, S in [Cebular, Klara; Bozic, Bojan D.; Stavber, Stojan] Jozef Stefan Inst, Dept Phys & Organ Chem, Jamova 39, Ljubljana 1000, Slovenia; [Cebular, Klara; Stavber, Stojan] Jozef Stefan Int Postgrad Sch, Jamova 39, Ljubljana 1000, Slovenia; [Bozic, Bojan D.] Univ Belgrade, Inst Physiol & Biochem, Fac Biol, Studentski Trg 16, Belgrade 11000, Serbia published 1,3-Dibromo-5,5-dimethylhydantoin as a Precatalyst for Activation of Carbonyl Functionality in 2019, Cited 61. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

Activation of carbonyl moiety is one of the most rudimentary approaches in organic synthesis and is crucial for a plethora of industrial-scale condensation reactions. In esterification and aldol condensation, which represent two of the most important reactions, the susceptibility of the carbonyl group to nucleophile attack allows the construction of a variety of useful organic compounds. In this context, there is a constant need for development of and improvement in the methods for addition-elimination reactions via activation of carbonyl functionality. In this paper, an advanced methodology for the direct esterification of carboxylic acids and alcohols, and for aldol condensation of aldehydes using widely available, inexpensive, and metal-free 1,3-dibromo-5,5-dimethylhydantoin under neat reaction conditions is reported. The method is air- and moisture-tolerant, allowing simple synthetic and isolation procedures for both reactions presented in this paper. The reaction pathway for esterification is proposed and a scale-up of certain industrially important derivatives is performed.

About 3-Methylbenzoic acid, If you have any questions, you can contact Cebular, K; Bozic, BD; Stavber, S or concate me.. Name: 3-Methylbenzoic acid

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Formula: C8H8O2. Authors Tan, FF; He, XY; Tian, WF; Li, Y in NATURE RESEARCH published article about in [Tan, Fang-Fang; He, Xiao-Ya; Tian, Wan-Fa; Li, Yang] Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, Xian 710054, Shaanxi, Peoples R China; [Tan, Fang-Fang; He, Xiao-Ya; Tian, Wan-Fa; Li, Yang] Xi An Jiao Tong Univ, State Key Lab Multiphase Flow Power Engn, Xian 710054, Shaanxi, Peoples R China; [Li, Yang] Nankai Univ, State Key Lab Elementoorgan Chem, Tianjin 300071, Peoples R China in 2020, Cited 69. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

Cleavage of C-O bonds in lignin can afford the renewable aryl sources for fine chemicals. However, the high bond energies of these C-O bonds, especially the 4-O-5-type diaryl ether C-O bonds (similar to 314 kJ/mol) make the cleavage very challenging. Here, we report visible-light photoredox-catalyzed C-O bond cleavage of diaryl ethers by an acidolysis with an aryl carboxylic acid and a following one-pot hydrolysis. Two molecules of phenols are obtained from one molecule of diaryl ether at room temperature. The aryl carboxylic acid used for the acidolysis can be recovered. The key to success of the acidolysis is merging visible-light photoredox catalysis using an acridinium photocatalyst and Lewis acid catalysis using Cu (TMHD)(2). Preliminary mechanistic studies indicate that the catalytic cycle occurs via a rare selective electrophilic attack of the generated aryl carboxylic radical on the electron-rich aryl ring of the diphenyl ether. This transformation is applied to a gram-scale reaction and the model of 4-O-5 lignin linkages.

Formula: C8H8O2. About 3-Methylbenzoic acid, If you have any questions, you can contact Tan, FF; He, XY; Tian, WF; Li, Y or concate me.

Reference:
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Recommanded Product: 99-04-7. Authors Wang, HH; Cao, F; Gao, WW; Wang, XD; Yang, YH; Shi, T; Wang, Z in AMER CHEMICAL SOC published article about in [Wang, Huihong; Cao, Fei; Gao, Weiwei; Wang, Zhen] Lanzhou Univ, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China; [Wang, Xiaodong; Yang, Yuhang; Shi, Tao; Wang, Zhen] Lanzhou Univ, Sch Pharm, Lanzhou 730000, Peoples R China in 2021, Cited 75. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

Epoxides as alkylating reagents are unprecedentedly applied in Pd(II)-catalyzed C-H alkylation and oxidative annulation of substituted benzamides to synthesize isoquinolones rather than isochromans, which is accomplished through alerting the previously reported reaction mechanism by the addition of oxidant and TEA. Under these conditions, various isoquinolones have been prepared with yields up to 92%. In addition, this methodology has been successfully employed in the total syntheses of rupreschstyril, siamine, and cassiarin A in an expedient fashion.

About 3-Methylbenzoic acid, If you have any questions, you can contact Wang, HH; Cao, F; Gao, WW; Wang, XD; Yang, YH; Shi, T; Wang, Z or concate me.. Recommanded Product: 99-04-7

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An article Synthesis of Biaryls via Decarbonylative Palladium-Catalyzed Suzuki-Miyaura Cross-Coupling of Carboxylic Acids WOS:000488278300064 published article about C-O ACTIVATION; DENSITY FUNCTIONALS; ORGANIC-SYNTHESIS; ARYL; HETEROARYL; ARENES; COMPLEXES; AMIDES; TRANSMETALATION; THERMOCHEMISTRY in [Szostak, Michal] Shaanxi Univ Sci & Technol, Coll Chem & Chem Engn, Minist Educ, Xian 710021, Shaanxi, Peoples R China; [Szostak, Michal] Shaanxi Univ Sci & Technol, Key Lab Auxiliary Chem & Technol Chem Ind, Minist Educ, Xian 710021, Shaanxi, Peoples R China; [Liu, Chengwei; Szostak, Michal] Rutgers State Univ, Dept Chem, 73 Warren St, Newark, NJ 07102 USA; [Ji, Chong-Lei; Qin, Zhi-Xin; Hong, Xin] Zhejiang Univ, Dept Chem, Hangzhou 310027, Zhejiang, Peoples R China in 2019, Cited 101. Recommanded Product: 99-04-7. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

The biaryl motif is a building block in many drugs, agrochemicals, and materials, and as such it is highly desirable as a synthesis target. The state-of-the-art process for biaryl synthesis from ubiquitous carboxylic acids is decarboxylative cross-coupling involving loss of carbon dioxide (CO2). However, the scope of these methods is severely limited, mainly due to specific substitution required to promote decarboxylation. The present report implements a decarbonylative version with loss of carbon monoxide (CO) that enables to directly engage carboxylic acids in a Suzuki-Miyaura cross-coupling to produce biaryls as a general method with high cross-coupling selectivity using a well-defined Pd(0)/(II) catalytic cycle. This protocol shows a remarkably broad scope (>80 examples) and is performed in the absence of exogenous inorganic bases. In a broader context, the approach shows promise for routine applications in the synthesis of biaryls by carefully controlled decarbonylation of prevalent carboxylic acids.

Recommanded Product: 99-04-7. About 3-Methylbenzoic acid, If you have any questions, you can contact Liu, CW; Ji, CL; Qin, ZX; Hong, X; Szostak, M or concate me.

Reference:
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An article Substituent effects on the aromaticity of benzeneAn approach based on interaction coordinates WOS:000470725300005 published article about CORRELATED MOLECULAR CALCULATIONS; INDEPENDENT CHEMICAL-SHIFTS; PI-ELECTRON DELOCALIZATION; GAUSSIAN-BASIS SETS; THEORETICAL CALCULATION; IONIZATION-POTENTIALS; OVERTONE SPECTROSCOPY; QUANTITATIVE CONCEPT; AB-INITIO; RESONANCE in [Dey, Soumyadeb; Manogaran, Dhivya; Manogaran, Sadasivam] Indian Inst Technol Kanpur, Dept Chem, Kanpur 208016, Uttar Pradesh, India; [Schaefer, Henry F., III] Univ Georgia, Ctr Computat Quantum Chem, Athens, GA 30602 USA in 2019, Cited 58. Product Details of 99-04-7. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

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.

About 3-Methylbenzoic acid, If you have any questions, you can contact Dey, S; Manogaran, D; Manogaran, S; Schaefer, HF or concate me.. Product Details of 99-04-7

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Name: 3-Methylbenzoic acid. Authors Singh, A; Farooqui, M; Diwan, MF; Pardeshi, RK in INT JOURNAL PHARMACEUTICAL SCIENCES & RESEARCH published article about in [Singh, Anantkumar; Farooqui, Mazahar; Diwan, Mohammed Furqan] Dr Rafiq Zakaria Coll Women, Aurangabad 431001, Maharashtra, India; [Pardeshi, R. K.] St Ramdas Coll, Jalna 431209, Maharashtra, India in 2020.0, Cited 14.0. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

A number of N-(5-p-tolyl-1,3,4-thiadiazole-2-yl) benzamide derivatives were synthesized from aromatic acid. The antibacterial activity of these newly synthesized N-(5-p-tolyl-1,3,4-thiadiazole-2-yl) benzamide derivatives against Gram-positive bacteria and Gram-negative bacteria was also studied using the minimum inhibition concentration method. The synthesized compounds were showed better results for antibacterial evaluation against gram-positive (Staphylococcus aureus, Bacillus subtilis), gram-negative (Escherichia coli, Pseudomonas aeruginosa) and fungal strains (Candida albicans, A. niger) and were found to be good antibacterial and antifungal agents. Most of the derivatives showed significant antibacterial and antifungal activity against standard. Compared to other methods, the advantageous features of this methodology are operational simplicity, including excellent yields and short reaction time. The developed synthetic protocol represents a very simple and easy to handle for the synthesis of substituted N-(5-p-tolyl-1,3,4-thiadiazole-2-yl) benzamide derivatives.

Name: 3-Methylbenzoic acid. About 3-Methylbenzoic acid, If you have any questions, you can contact Singh, A; Farooqui, M; Diwan, MF; Pardeshi, RK or concate me.

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Recommanded Product: 3-Methylbenzoic acid. Recently I am researching about CARBOXYLIC-ACIDS; BOND FUNCTIONALIZATIONS; OXIDASE CATALYSIS; ALKENYLATIONS; DEHYDROGENATION; ISOPESTACIN; STRATEGY; WATER, Saw an article supported by the Natural Science Foundation of Shandong Province, ChinaNatural Science Foundation of Shandong Province [ZR2016JL009]; University of Jinan. Published in WILEY-V C H VERLAG GMBH in WEINHEIM ,Authors: Wang, R; Xu, HY; Li, TT; Zhang, Y; Wang, SF; Chen, GZ; Li, CC; Zhao, HQ. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid

A catalytic annulation cascade is achieved that affords an efficient access to phthalides from readily available benzoic acids and saturated ketones. The reaction is catalyzed by a bimetallic Ir/Cu system and proceeds via the combination of Cu-catalyzed dehydrogenation of ketones and Ir-catalyzed direct C-H functionalization under the assistance of the weakly coordinating carboxyl followed by the beta-H elimination and intramolecular Michael addition. This method shows a broad scope of substrates and good functional group tolerance. The protocol furnishes an alternative strategy for the construction of diverse 3-substituted phthalides.

Recommanded Product: 3-Methylbenzoic acid. About 3-Methylbenzoic acid, If you have any questions, you can contact Wang, R; Xu, HY; Li, TT; Zhang, Y; Wang, SF; Chen, GZ; Li, CC; Zhao, HQ or concate me.

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Recently I am researching about METAL-FREE SYNTHESIS; CARBOXYLIC-ACIDS; 2+2 PHOTOCYCLOADDITION; PHOTOREDOX CATALYSIS; ESTERS; TRIFLUOROMETHYLATION; ACTIVATION; COMPLEXES; ARYLATION, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21771131, 21471108, 21773163]; Natural Science Foundation of Jiangsu ProvinceNatural Science Foundation of Jiangsu Province [BK20161276]; Scientific and Technologic Infrastructure of Suzhou [SZS201708]. Published in ROYAL SOC CHEMISTRY in CAMBRIDGE ,Authors: Zhu, DL; Li, HX; Xu, ZM; Li, HY; Young, DJ; Lang, JP. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid. Formula: C8H8O2

We report an approach to the visible light-initiated, nickel-catalyzed esterification of carboxylic acids with aryl bromides. Thioxanthen-9-one works as a triplet photosensitizer to significantly accelerate this cross-coupling to provide aryl esters in moderate to excellent yields at room temperature. A mechanistic investigation indicates that this esterification undergoes the stepwise oxidative addition of an arylbromide to nickel, transmetalation of an aryl-Ni(ii) bromide complex, energy transfer from thioxanthen-9-one to an excited-state aryl-Ni(ii) carboxylate and reductive elimination to the aryl ester. This study contributes to the utilization of ketones as triplet photosensitisers in photochemical transformations.

Formula: C8H8O2. About 3-Methylbenzoic acid, If you have any questions, you can contact Zhu, DL; Li, HX; Xu, ZM; Li, HY; Young, DJ; Lang, JP or concate me.

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An article Direct Amidation of Carboxylic Acids with Nitroarenes WOS:000494562600063 published article about PEPTIDE COUPLING REAGENTS; SECONDARY AMIDES; CADOGAN REACTION; TRANSAMIDATION; ARYL; INHIBITORS; CHEMISTRY; AMINES; AMINOCARBONYLATION; HYDROAMINATION in [Cheung, Chi Wai; Ma, Jun-An] Tianjin Univ, Tianjin Key Lab Mol Optoelect Sci, Dept Chem, Tianjin 300072, Peoples R China; Tianjin Univ, Tianjin Collaborat Innovat Ctr Chem Sci & Engn, Tianjin 300072, Peoples R China; Joint Sch NUS & TJU, Int Campus Tianjin Univ, Fuzhou 350207, Fujian, Peoples R China in 2019, Cited 87. Safety of 3-Methylbenzoic acid. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

N-Aryl amides are an important class of compounds in pharmaceutical and agrochemical chemistry. Rapid and low-cost synthesis of N-aryl amides remains in high demand. Herein, we disclose an operationally simple process to access N-aryl amides directly from readily available nitroarenes and carboxylic acids as coupling substrates. This method involves the in situ activation of carboxylic acids to acyloxyphosphonium salt for one-pot amidation, without the need for isolation of the corresponding synthetic intermediates. Furthermore, the ease of preparation and workup allow the quick and efficient synthesis of a wide range of N-aryl amides, including several amide-based druglike and agrochemical molecules.

Safety of 3-Methylbenzoic acid. About 3-Methylbenzoic acid, If you have any questions, you can contact Wang, SP; Cheung, CW; Ma, JA or concate me.

Reference:
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