Month: September 2021

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.

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

Song, SY; Kim, IS; Koppula, S; Park, JY; Kim, BW; Yoon, SH; Choi, DK in [Song, Soo-Yeol; Kim, In-Su; Koppula, Sushruta; Kim, Byung-Wook; Choi, Dong-Kug] Konkuk Univ, Dept Biotechnol, Chungju 380701, South Korea; [Park, Ju-Young; Yoon, Sung-Hwa] Ajou Univ, Dept Mol Sci & Technol, Suwon 443749, South Korea published 2-Hydroxy-4-Methylbenzoic Anhydride Inhibits Neuroinflammation in Cellular and Experimental Animal Models of Parkinson’s Disease in 2020, Cited 45. Category: isothiazole. The Name is Benzoic anhydride. Through research, I have a further understanding and discovery of 93-97-0.

Microglia-mediated neuroinflammation is one of the key mechanisms involved in acute brain injury and chronic neurodegeneration. This study investigated the inhibitory effects of 2-hydroxy-4-methylbenzoic anhydride (HMA), a novel synthetic derivative of HTB (3-hydroxy-4-trifluoromethylbenzoic acid) on neuroinflammation and underlying mechanisms in activated microglia in vitro and an in vivo mouse model of Parkinson’s disease (PD). In vitro studies revealed that HMA significantly inhibited lipopolysaccharide (LPS)-stimulated excessive release of nitric oxide (NO) in a concentration dependent manner. In addition, HMA significantly suppressed both inducible NO synthase and cyclooxygenase-2 (COX-2) at the mRNA and protein levels in LPS-stimulated BV-2 microglia cells. Moreover, HMA significantly inhibited the proinflammatory cytokines such as interleukin (IL)-1beta, IL-6, and tumor necrosis factor-alpha in LPS-stimulated BV-2 microglial cells. Furthermore, mechanistic studies ensured that the potent anti-neuroinflammatory effects of HMA (0.1, 1.0, and 10 mu M) were mediated by phosphorylation of nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha (I kappa B alpha) in LPS-stimulated BV-2 cells. In vivo evaluations revealed that intraperitoneal administration of potent neurotoxin 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP, 20 mg/kg, four times a 1 day) in mice resulted in activation of microglia in the brain in association with severe behavioral deficits as assessed using a pole test. However, prevention of microglial activation and attenuation of Parkinson’s disease (PD)-like behavioral changes was obtained by oral administration of HMA (30 mg/kg) for 14 days. Considering the overall results, our study showed that HMA exhibited strong anti-neuroinflammatory effects at lower concentrations than its parent compound. Further work is warranted in other animal and genetic models of PD for evaluating the efficacy of HMA to develop a potential therapeutic agent in the treatment of microglia-mediated neuroinflammatory disorders, including PD.

Category: isothiazole. About Benzoic anhydride, If you have any questions, you can contact Song, SY; Kim, IS; Koppula, S; Park, JY; Kim, BW; Yoon, SH; Choi, DK or concate me.

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

Safety of 1,3-Dimethoxybenzene. In 2019 ORG LETT published article about REDOX-ACTIVE ESTERS; RING-OPENING TRIFLUOROMETHYLATION; BOND-FORMING REACTIONS; ZINC-HOMOENOLATE; C-C; KETONES; ALPHA in [Mills, L. Reginald; Zhou, Cuihan; Fung, Emily; Rousseaux, Sophie A. L.] Univ Toronto, Dept Chem, Davenport Res Labs, 80 St George St, Toronto, ON M5S 3H6, Canada; [Zhou, Cuihan] McGill Univ, Dept Chem, 801 Sherbrooke St West, Montreal, PQ H3A 0B8, Canada in 2019, Cited 35. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0.

Metal homoenolates are valuable synthetic intermediates which provide access to beta-functionalized ketones. In this report, we disclose a Ni-catalyzed beta-alkylation reaction of cyclopropanol-derived homoenolates using redox-active N-hydroxyphthalimide (NHPI) esters as the alkylating reagents. The reaction is compatible with 1 degrees, 2 degrees, and 3 degrees NHPI esters. Mechanistic studies imply radical activation of the NHPI ester and 2e beta-carbon elimination occurring on the cyclopropanol.

Safety of 1,3-Dimethoxybenzene. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Mills, LR; Zhou, CH; Fung, E; Rousseaux, SAL 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

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 Superior activity and selectivity of multifunctional catalyst Pd-DTP@ZIF-8 in one pot synthesis of 3-phenyl propyl benzoate WOS:000463348300036 published article about METAL-ORGANIC FRAMEWORK; ZIF-8; PD; NANOPARTICLES; HYDROGENATION; BENZYLATION; OXIDATION; STORAGE; SURFACE; PHENOL in [Malkar, Radhika S.; Yadav, Ganapati D.] Inst Chem Technol, Dept Chem Engn, Nathalal Parekh Marg, Mumbai 400019, Maharashtra, India in 2019, Cited 41. Application In Synthesis of Benzoic anhydride. The Name is Benzoic anhydride. Through research, I have a further understanding and discovery of 93-97-0

The catalytic efficiency of zeolitic imidazolate framework (ZIF-8) has been explored by making it multifunctional. Dual active sites were incorporated such as acid (dodecatungstophosphoric acid, DTP) and metal (Pd degrees) to prepare 5% Pd-DTP@ZIF-8. DTP was encapsulated inside the cage of ZIF-8 by in-situ and bottle around the ship approach whereas Pd was loaded ex-situ by simple wet impregnation method. The catalytic efficiency was tested for one pot synthesis of 3-phenyl propyl benzoate (3-PPB), a perfumery compound, from cinnamyl alcohol and benzoic anhydride. Trans-esterification of cinnamyl alcohol with benzoic anhydride gives cinnamyl benzoate which on further hydrogenation gives 3-PPB. Three different supports were screened such as ZIF-8, K10 and MCF out of which ZIF-8 showed the maximum activity because of its high surface area and smaller pore diameter. Further Pd, Ni and Cu metals were studied for selective hydrogenation of C=C bond among which 5% Pd-DTP@ZIF-8 gave almost 98% conversion of cinnamyl benzoate to 3-PPB with 93% selectivity. Fresh and spent catalysts were characterized by various techniques. 5% Pd-DTP@ZIF-8 showed anti-leaching property with great thermal stability. The turn over frequency and turn over number of the catalyst was observed to be 0.058 s(-1) and 835, respectively. A kinetic model was developed with good fit using LHHW mechanism and the activation energy calculated as 17.45 kcal/mol for hydrogenation step. Thus, the reaction was found to be kinetically controlled. The entire process is green.

About Benzoic anhydride, If you have any questions, you can contact Malkar, RS; Yadav, GD or concate me.. Application In Synthesis of Benzoic anhydride

Reference:
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

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

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

Liang, XL; Radosevich, M; Loffler, F; Schaeffer, SM; Zhuang, J in [Liang, Xiaolong; Radosevich, Mark; Loffler, Frank; Schaeffer, Sean M.; Zhuang, Jie] Univ Tennessee, Dept Biosyst Engn & Soil Sci, Knoxville, TN 37996 USA; [Loffler, Frank] Univ Tennessee, Dept Microbiol, Dept Civil & Environm Engn, Ctr Environm Biotechnol, Knoxville, TN 37996 USA; [Loffler, Frank] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA published Impact of microbial iron oxide reduction on the transport of diffusible tracers and non-diffusible nanoparticles in soils in 2019, Cited 60. Recommanded Product: 2,6-Difluorobenzoic acid. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2.

In subsurface bioremediation, electron donor addition promotes microbial Fe(lII)-oxide mineral reduction that could change soil pore structure, release colloids, and alter soil surface properties. These processes in turn may impact bioremediation rates and the ultimate fate of contaminants. Columns packed with water-stable, Fe-oxide-rich soil aggregates were infused with acetate-containing artificial groundwater and operated for 20 d or 60 d inside an anoxic chamber. Soluble Fe(II) and soil colloids were detected in the effluent within one week after initiation of the acetate addition, demonstrating Fe(III)-bioreduction and colloid formation. Diffusible Br-, less diffusible 2,6-difluorobenzoate (DFBA), and non-diffusible silica-shelled silver nanoparticles (SSSNP) were used as tracers in transport experiments before and after the bioreduction. The transport of Br- was not influenced by the bioreduction. DFBA showed earlier breakthrough and less tailing after the bioreduction, suggesting alterations in flow paths and soil surface chemistry during the 20-d bioreduction treatment. Similarly, the bioreduction increased the transport of SSSNP very significantly, with mass recovery increasing from 1.7% to 25.1%. Unexpectedly, the SSSNP was completely retained in the columns when the acetate injection was extended from 20 to 60 d, while the mass recovery of DFBA decreased from 89.1% to 84.1% and Br showed no change. The large change in the transport of SSSNP was attributed to soil aggregate breakdown and colloid release (causing mechanical straining of SSSNP) and the exposure of iron oxide surfaces previously unavailable within aggregate interiors (facilitating attachment of SSSNP). These results suggest a time dependent fashion of microbial effect on the transport of diffusivity-varying tracers. (C) 2018 Elsevier Ltd. All rights reserved.

About 2,6-Difluorobenzoic acid, If you have any questions, you can contact Liang, XL; Radosevich, M; Loffler, F; Schaeffer, SM; Zhuang, J or concate me.. Recommanded Product: 2,6-Difluorobenzoic acid

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