Category: 99-04-7

Safety of 3-Methylbenzoic acid. Recently I am researching about EQUILIBRIUM-CONSTANTS; AROMATIC-ACIDS; URANIUM(VI); CRYSTAL; ION; BENZOATE; MODEL; EXAFS, Saw an article supported by the Nuclear R&D Program of the National Research Foundation of Korea – Korean Ministry of Science and ICT [2016M2B2B1945252, 2017M2A8A5014801]. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Choi, S; Yun, JI. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid

Aqueous complexation of uranyl(VI) ions with methoxy- and methylbenzoates in 0.1 M NaClO4 solutions was studied by means of UV-vis absorption and Raman spectroscopy. The predominance of 1:1 complexation (uranyl to ligand) was verified for all uranyl carboxylates under acidic conditions (-log [H+] < 3.2), and absorption spectra, stability constants, and symmetric stretching frequencies of the uranyl group of the complexes were determined for the first time. For meta- and parasubstituted benzoates, a linear free energy relationship (LFER) was observed between the equilibrium constants for the protonation (log beta(p)) and uranyl complexation (log beta(U)) reactions, and the electronic effects of the substituents were successfully described by the Hammett equation. In the case of ortho-substituted benzoates, the stability constant of uranyl 2-methoxybenzoate is slightly lower than the LFER trend, which is generally explained by the destabilization of cross-conjugation in the uranyl complex due to the steric hindrance between the reaction center and adjacent methoxy group. On the contrary, the stability constant of uranyl 2-methylbenzoate is comparable to the LFER trend, implying that the steric effect is relatively insignificant for the smaller methyl group. The utility of such thermodynamic correlations between the uranyl-substituted benzoates is useful for the molecular understanding and predictive modeling of chemical interactions between actinyl(VI) ions and various organic carboxyl groups. Safety of 3-Methylbenzoic acid. About 3-Methylbenzoic acid, If you have any questions, you can contact Choi, S; Yun, JI or concate me.

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

COA of Formula: C8H8O2. 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.

COA of Formula: C8H8O2. 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

Application In Synthesis of 3-Methylbenzoic acid. In 2019.0 ORGANOMETALLICS published article about CARBOXYLIC-ACID SALTS; CP-H BONDS; PRIMARY ALCOHOLS; UNACTIVATED C(SP(3))-H; AEROBIC OXIDATION; WATER; AMINES; ESTERIFICATION; ALKYLATION; CONVERSION in [Dolui, Pritam; Hazra, Susanta; Deb, Mayukh; Elias, Anil J.] Indian Inst Technol, Dept Chem, New Delhi 110016, India in 2019.0, Cited 68.0. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

Picolinamide group assisted sp(3) C-H bond oxidation of methylene groups to the corresponding carbonyl compounds has been achieved by using simple bottle ferrocene as catalyst and Cu(OAc)(2) or tert-butyl peroxybenzoate (TBPB) as oxidant under mild conditions. This method is applicable for picolinamide bound organic as well as organometallic compounds with yields in the range of 46-82%. Control experiments and mechanistic studies indicate that a radical mechanism is responsible for these oxidative transformations in which ferrocene acts as a catalyst.

Application In Synthesis of 3-Methylbenzoic acid. About 3-Methylbenzoic acid, If you have any questions, you can contact Dolui, P; Hazra, S; Deb, M; Elias, AJ or concate me.

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

Formula: C8H8O2. Authors Marrazzini, G; Giovannini, T; Egidi, F; Cappelli, C in AMER CHEMICAL SOC published article about in [Marrazzini, Gioia; Egidi, Franco; Cappelli, Chiara] Scuola Normale Super Pisa, I-56126 Pisa, Italy; [Giovannini, Tommaso] Norwegian Univ Sci & Technol, Dept Chem, N-7491 Trondheim, Norway in 2020, Cited 94. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

We present a computational study of polarizabilities and hyperpolarizabilities of organic molecules in aqueous solutions, focusing on solute-water interactions and the way they affect a molecule’s linear and non-linear electric response properties. We employ a polarizable quantum mechanics/molecular mechanics (QM/MM) computational model that treats the solute at the QM level while the solvent is treated classically using a force field that includes polarizable charges and dipoles, which dynamically respond to the solute’s quantum-mechanical electron density. Quantum confinement effects are also treated by means of a recently implemented method that endows solvent molecules with a parametric electron density, which exerts Pauli repulsion forces upon the solute. By applying the method to a set of aromatic molecules in solution we show that, for both polarizabilities and first hyperpolarizabilities, observed solution values are the result of a delicate balance between electrostatics, hydrogen-bonding, and non-electrostatic solute solvent interactions.

Formula: C8H8O2. About 3-Methylbenzoic acid, If you have any questions, you can contact Marrazzini, G; Giovannini, T; Egidi, F; Cappelli, C or concate me.

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

Category: isothiazole. Authors Sessa, F; Olsson, M; Soderberg, F; Wang, F; Rahm, M in WILEY-V C H VERLAG GMBH published article about in [Sessa, Francesco; Olsson, Martina; Soderberg, Fredrik; Rahm, Martin] Chalmers Univ Technol, Dept Chem & Chem Engn, SE-41296 Gothenburg, Sweden; [Wang, Fang] Univ Rhode Isl, Dept Chem, 140 Flagg Rd, Kingston, RI 02881 USA in 2021.0, Cited 91.0. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

The quantum mechanically calculable Q descriptor is shown to be a potent quantifier of chemical reactivity in complex molecules – it shows a strong correlation to experimentally derived field effects in non-aromatic substrates and Hammett sigma(m) and sigma(p) parameters. Models for predicting substituent effects from Q are presented and applied, including on the elusive pentazolyl substituent. The presented approach enables fast computational estimation of substituent effects, and, in extension, medium-throughput screening of molecules and compound design. An experimental dataset is suggested as a candidate benchmark for aiding the general development and comparison of electronic structure analyses. It is here used to evaluate the experimental quantum chemistry (EQC) framework for chemical bonding analysis in larger molecules.

Category: isothiazole. About 3-Methylbenzoic acid, If you have any questions, you can contact Sessa, F; Olsson, M; Soderberg, F; Wang, F; Rahm, M or concate me.

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

I found the field of Chemistry very interesting. Saw the article Decarbonylative Sonogashira Cross-Coupling of Carboxylic Acids published in 2021. COA of Formula: C8H8O2, Reprint Addresses Szostak, M (corresponding author), Rutgers State Univ, Dept Chem, Newark, NJ 07102 USA.. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid

Decarbonylative Sonogashira cross-coupling of carboxylic acids by palladium catalysis is presented. The carboxylic acid is activated in situ by the formation of a mixed anhydride and further decarbonylates using the Pd(OAc)(2)/Xantphos system to provide an aryl-Pd intermediate, which is intercepted by alkynes to access the traditional Pd(0)/(II) cycle using carboxylic acids as ubiquitous and orthogonal electrophilic cross-coupling partners. The methodology efficiently constructs new C(sp(2))-C(sp) bonds and can be applied to the derivatization of pharmaceuticals. Mechanistic studies give support to decarbonylation preceding transmetalation in this process.

COA of Formula: C8H8O2. About 3-Methylbenzoic acid, If you have any questions, you can contact Liu, CW; Szostak, M or concate me.

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

An article Electrochemical intramolecular C-H/N-H functionalization for the synthesis of isoxazolidine-fused isoquinolin-1(2H)-ones WOS:000505605500002 published article about OXIDATIVE ANNULATION; CATALYZED SYNTHESIS; O BOND; ISOQUINOLONE SYNTHESIS; DIRECTING GROUP; N-RADICALS; ACTIVATION; STRATEGY; CLEAVAGE; KETONES in [Zhang, Lin-Bao; Geng, Rui-Sen; Wang, Zi-Chen; Ren, Guang-Yi; Wen, Li-Rong; Li, Ming] Qingdao Univ Sci & Technol, State Key Lab Base Ecochem Engn, Qingdao 266042, Shandong, Peoples R China in 2020, Cited 65. Name: 3-Methylbenzoic acid. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

A general and practical protocol for the construction of isoxazolidine-fused isoquinolin-1(2H)-ones has been described by electrochemical-oxidation-induced intramolecular annulation via amidyl radicals. In an undivided cell, isoquinolinones could be easily generated from various available amides bearing CONHOR groups under metal-free, additive-free and external oxidant-free conditions. Moreover, this transformation proceeded smoothly by using cheap 95% ethanol as the green solvent and could be extended to the gram scale.

Name: 3-Methylbenzoic acid. About 3-Methylbenzoic acid, If you have any questions, you can contact Zhang, LB; Geng, RS; Wang, ZC; Ren, GY; Wen, LR; Li, M or concate me.

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

Yu, JF; Li, JJ; Wang, P; Yu, JQ in [Yu, Jin-Feng; Li, Jian-Jun; Wang, Peng] Chinese Acad Sci, Shanghai Inst Organ Chem, Ctr Excellence Mol Synth, State Key Lab Organometall Chem, 345 Lingling Rd, Shanghai 200032, Peoples R China; [Wang, Peng] Chinese Acad Sci, CAS Key Lab Energy Regulat Mat, Shanghai Inst Organ Chem, 345 Lingling Rd, Shanghai 200032, Peoples R China; [Yu, Jin-Quan] Scripps Res Inst TSRI, 10550 North Torrey Pines Rd, La Jolla, CA 92037 USA published Cu-Mediated Amination of (Hetero)Aryl C-H bonds with NH Azaheterocycles in 2019.0, Cited 56.0. Quality Control of 3-Methylbenzoic acid. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

Direct synthesis of N-(hetero)arylated heteroarenes has been realized through Cu-mediated C-N coupling of NH azaheterocycles with aryl C-H bonds under aerobic conditions. This method features a broad scope of both heterocyclic arenes (pyridine, quinoline, pyrazole, imidazole, furan, thiophene, benzofuran, and indole) and NH azaheterocycles (imidazole, pyrazole, indole, azindole, purine, indazole, benzimidazole, pyridone, carbazole), providing a versatile method for the synthesis of pharmaceutically important N-(hetero)arylated heteroarenes. The versatility of this reaction was further demonstrated through late-stage modification of marketed drugs and the synthesis of a key intermediate for accessing a class of angiotensin II receptor 1 antagonists.

Quality Control of 3-Methylbenzoic acid. About 3-Methylbenzoic acid, If you have any questions, you can contact Yu, JF; Li, JJ; Wang, P; Yu, JQ or concate me.

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

Authors Yang, F; Cao, Y; Xu, C; Xia, Y; Chen, Z; He, X; Li, Y; Yang, W; Li, YF in WILEY-V C H VERLAG GMBH published article about METAL-FREE CATALYST; AEROBIC OXIDATION; OXYGEN REDUCTION; CARBOXYLIC-ACIDS; PALLADIUM NANOPARTICLES; GOLD NANOPARTICLES; ACTIVATED CARBON; ELECTROCATALYSTS; PERFORMANCE; REAGENT in [Yang, Fan; Xu, Chong; Xia, Yan; Chen, Zhuo; He, Xing; Li, Yun; Yang, Wang; Li, Yongfeng] China Univ Petr, State Key Lab Heavy Oil Proc, Beijing 102249, Changping, Peoples R China; [Cao, Yan] China Petr Engn & Construct North China Co, 3 Jianshe Rd, Renqiu, Hebei, Peoples R China in 2019, Cited 47. HPLC of Formula: C8H8O2. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

The nitrogen and phosphorus co-doped graphene-like carbon (NPG) is cost-effective fabricated by simple ball-milling and thermal treatment. The as-prepared NPG can be used as a metal-free catalyst for selective catalytic oxidation of aromatic alcohols to their corresponding acids by using TBHP and O-2 as the oxidant in water. It is observed that various aromatic alcohols bearing electron-donating/withdrawing groups can be oxidized to the corresponding acids in excellent yields. No dehalogenation and steric-hindrance effects are detected in this oxidation process. In addition, the NPG catalyst can be easily separated and efficiently reused seven times, showing good recyclability.

HPLC of Formula: C8H8O2. About 3-Methylbenzoic acid, If you have any questions, you can contact Yang, F; Cao, Y; Xu, C; Xia, Y; Chen, Z; He, X; Li, Y; Yang, W; Li, YF or concate me.

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

Chemistry involves the study of all things chemical – chemical processes, chemical compositions and chemical manipulation – in order to better understand the way in which materials are structured, how they change and how they react in certain situations. 99-04-7, Name is 3-Methylbenzoic acid, molecular formula is C8H8O2, belongs to isothiazole compound. In a document, author is Potkin, V. I., introduce the new discover, Formula: https://www.ambeed.com/products/99-04-7.html.

Acylation of benzene and toluene with 5-phenyl- and 5-(p-tolyl)isoxazole-3-carbonyl chlorides gave 5-phenyl(or p-tolyl)isoxazol-3-yl phenyl(or p-tolyl)ketones which were reduced to the corresponding alcohols with sodium tetrahydridoborate in propan-2-ol. Selective reduction of the carboxy group in 4,5-dichloroisothiazole-3-carboxylic acid was achieved by the action of BH3, and the aldehyde group in 4-formyl-2-methoxyphenyl 5-arylisoxazole-3-carboxylates and 4,5-dichloroisothiazole-3-carboxylates was reduced to hydroxymethyl group with sodium triacetoxyhydridoborate in benzene. Acylation of the resulting hydroxymethyl derivatives with 5-arylisoxazole- and 4,5-dichloroisothiazole-3-carbonyl chlorides afforded the corresponding esters containing two azole fragments in their molecules.

You can get involved in discussing the latest developments in this exciting area about 99-04-7. Formula: https://www.ambeed.com/products/99-04-7.html.

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