Tag: M.W=100-150

Authors Cui, JG; Wei, MZ; Pang, LP; Xiao, JA; Gan, CF; Guo, JL; Xie, CF; Zhu, QM; Huang, YM in PERGAMON-ELSEVIER SCIENCE LTD published article about METAL-FREE SYNTHESIS; ORGANIC SELENOCYANATES; SELENIUM; SELENAZOFURIN; DERIVATIVES; STRATEGY; DESIGN in [Cui, Jianguo; Wei, Meizhen; Pang, Liping; Xiao, JunAn; Gan, Chunfang; Guo, Jiali; Xie, Chuanfang; Zhu, Qiming; Huang, Yanmin] Nanning Normal Univ, Guangxi Key Lab Nat Polymer Chem & Phys, Nanning 530001, Peoples R China; [Cui, Jianguo] Beibuwan Univ, Guangxi Coll & Univ Key Lab Beibu Gulf Oil & Nat, Qinzhou 535000, Peoples R China in 2020, Cited 51. Application In Synthesis of 1,3-Dimethoxybenzene. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0

A practical method for the umpolung selenocyanation of aryl ketones, alkyl ketones, beta-ketoesters and electron-rich arenes has been developed, affording various selenocyanates in moderate to excellent yields. This transformation proceeds by an oxidative umpolung selenocyanation through nitrogen oxides-mediated electrophilic selenocyanation process. This method is simpler, more efficient, and less costly than precedent methods. Further transformations of the arylselenocyanate was performed to prove the synthetic utility of this methodology. (C) 2020 Elsevier Ltd. All rights reserved.

Application In Synthesis of 1,3-Dimethoxybenzene. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Cui, JG; Wei, MZ; Pang, LP; Xiao, JA; Gan, CF; Guo, JL; Xie, CF; Zhu, QM; Huang, YM or concate me.

Reference:
Isothiazole – Wikipedia,
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An article Coordination-Driven Stereospecific Control Strategy for Pure Cycloisomers in Solid-State Diene Photocycloaddition WOS:000508475100009 published article about 2+2 PHOTODIMERIZATION; PHOTOCHEMISTRY; CHEMISTRY; CYCLOBUTANE; DERIVATIVES; INCREASES; CATALYSIS; POLYMER; CO2 in [Wang, Meng-Fan; Hu, Fei-Long; Niu, Zheng; Wang, Hui-Fang; Lang, Jian-Ping] Soochow Univ, Coll Chem Chem Engn & Mat Sci, Suzhou 215123, Peoples R China; [Wang, Meng-Fan; Mi, Yan; Hu, Fei-Long; Yin, Xian-Hong; Huang, Qin] Guangxi Univ Nationalities, Guangxi Key Lab Chem & Engn Forest Prod, Nanning 530006, Peoples R China in 2020, Cited 49. Computed Properties of C8H8O2. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

To obtain a pure product without the isomer byproducts is a goal that many chemists are pursuing. As one kind of very important synthesis method, the photochemical reaction is simple and straightforward yet low-selective. In this work, a coordination interaction based oriented synthesis strategy has been proposed to realize the precise stereochemical control of the isomeric cyclic compounds in the photocycloaddition reaction. Through fixing the reactants via coordination interactions, the arrangements and configurations of the reactants can be adjusted, thereby successfully producing all of the related photocycloaddition products without isomer byproducts for the first time. This work not only provides a new route to synthesize the pure cyclic compounds but also expands the application of the photocycloaddition reaction.

Computed Properties of C8H8O2. About 3-Methylbenzoic acid, If you have any questions, you can contact Wang, MF; Mi, Y; Hu, FL; Niu, Z; Yin, XH; Huang, Q; Wang, HF; Lang, JP or concate me.

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Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

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

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

An article Nickel Carbodicarbene Catalyzes Kumada Cross-Coupling of Aryl Ethers with Grignard Reagents through C-O Bond Activation WOS:000478443800001 published article about N-HETEROCYCLIC CARBENES; STRUCTURAL IMPLICATIONS; ELECTROPHILES; METHYLATION; COMPLEXES; PHOSPHINE; ANISOLES; ALLENE; LIGAND in [Ambre, Ram; Yang, Hsuan; Chen, Wen-Ching; Ong, Tiow-Gan] Acad Sinica, Inst Chem, 128,Sec 2,Acad Rd, Taipei, Taiwan; [Yap, Glenn P. A.] Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA; [Jurca, Titel] Univ Cent Florida, Dept Chem, 4111 Libra Dr, Orlando, FL 32816 USA; [Jurca, Titel] Univ Cent Florida, Renewable Energy & Chem Transformat Cluster, 4353 Scorpius St, Orlando, FL 32816 USA; [Ong, Tiow-Gan] Natl Chiao Tung Univ, Dept Appl Chem, 1001 Ta Hsueh Rd, Hsinchu, Taiwan; [Ong, Tiow-Gan] Natl Taiwan Univ, Dept Chem, 1,Sec 4,Roosevelt Rd, Taipei, Taiwan in 2019, Cited 65. Application In Synthesis of 1,3-Dimethoxybenzene. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0

The development of a cross-coupling reaction protocol between aryl ethers and Grignard reagents catalyzed by carbodicarbene (CDC) nickel complexes to afford biaryl compounds through C-O cleavage is reported. Aromatic substrates featuring a broad range of electron neutral, donating, or withdrawing groups are introduced at the desired position. The method has proven effective over a wide range of naphthyl methyl ethers, anisoles, and Grignard reagents. The robustness of the protocol is validated by performing multiple cleavage reactions, gram scale synthesis, and arylation of a dimethoxy esterdiol derivative.

Application In Synthesis of 1,3-Dimethoxybenzene. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Ambre, R; Yang, H; Chen, WC; Yap, GPA; Jurca, T; Ong, TG or concate me.

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

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:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

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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Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

An article One-pot, three-component approach to diarylacetonitriles WOS:000459735400016 published article about FRIEDEL-CRAFTS ACYLATION; MULTICOMPONENT REACTIONS; COUPLING REACTION; DIRECT CYANATION; ALCOHOLS; OLIGOSTILBENOIDS; EFFICIENT; SHOREAPHENOL; ACTIVATION; CHEMISTRY in [Kim, Ikyon] Yonsei Univ, Coll Pharm, 85 Songdogwahak Ro, Incheon 21983, South Korea; Yonsei Univ, Yonsei Inst Pharmaceut Sci, 85 Songdogwahak Ro, Incheon 21983, South Korea in 2019, Cited 56. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0. Recommanded Product: 151-10-0

Described herein is a novel one-pot, three-component reaction where aldehydes, electron-rich arenes, and TMSCN in the presence of BF3-OEt2 allowed direct access to a number of diarylacetonitriles under mild reaction conditions in good to excellent yields. Implementation of this assembly protocol to a concise synthetic approach to shoreaphenol, a bioactive oligostilbenoid natural product, is also demonstrated.

About 1,3-Dimethoxybenzene, If you have any questions, you can contact Singh, DK; Prasad, SS; Kim, J; Kim, I or concate me.. Recommanded Product: 151-10-0

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

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:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

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

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