Month: February 2022

Safety of Benzoic anhydride. Authors Wang, L; Wang, C in AMER CHEMICAL SOC published article about in [Wang, Lin; Wang, Chuan] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China; [Wang, Lin; Wang, Chuan] Univ Sci & Technol China, Dept Chem, Hefei 230026, Anhui, Peoples R China; [Wang, Chuan] Chinese Acad Sci, Ctr Excellence Mol Synth, Hefei 230026, Anhui, Peoples R China in 2020, Cited 95. The Name is Benzoic anhydride. Through research, I have a further understanding and discovery of 93-97-0

Herein, we present a nickel-catalyzed three-component reductive alkylacylation of electron-deficient activated alkenes with tertiary alkyl bromides and acid anhydrides. This method enables the efficient preparation of a variety of ketones with broad substrate scope and high functionality tolerance starting from simple precursors. On the basis of the preliminary mechanistic investigations, a catalytic cycle involving the synergistic interaction of nickel, zinc, and MgCl2 is proposed as the major reaction pathway.

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Reference:
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An article Green, Mild, and Efficient Friedel-Crafts Benzylation of Scarcely Reactive Arenes and Heteroarenes under On-Water Conditions WOS:000466387800014 published article about PROTON ACCEPTOR GROUPS; X-RAY-DIFFRACTION; HYDROPHOBIC AMPLIFICATION; ORGANIC-REACTIONS; MICHAEL ADDITION; ALKYL; CATALYST; BENZENE; DIARYLMETHANES; ACCELERATION in [La Manna, Pellegrino; Soriente, Annunziata; De Rosa, Margherita; Buonerba, Antonio; Talotta, Carmen; Gaeta, Carmine; Neri, Placido] Univ Salerno, Dipartimento Chim & Biol A Zambelli, Via Giovanni Paolo II, I-84084 Salerno, Italy in 2019, Cited 98. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0. Product Details of 151-10-0

Metal-free Friedel-Crafts benzylation (FCB) of scarcely reactive arenes and heteroarenes was performed under on-water conditions by an environmentally sustainable procedure. The catalytic strategy exploits the hydrophobicity of the resorcinarene macrocycle 1 a. The proposed mechanism is based on the activation of benzyl chloride by H-bonding interactions with catalyst 1 a. In fact, under on-water conditions the hydrophobic amplification of the strength of the H-bonding interactions between the OH groups of the resorcinarene catalyst and the chlorine atom of benzyl chloride leads to polarization of the C-Cl bond, which consequently promotes electrophilic attack of the pi nucleophile. Thus, many arenes and heteroarenes were efficiently benzylated under mild on-water conditions by using resorcinarene 1 a as catalyst. The FCB of benzene is industrially relevant for the synthesis of diphenylmethane, and hence the on-water procedure was extended to the gram-scale synthesis of diphenylmethane, starting from benzene and benzyl chloride in the presence of resorcinarene catalyst 1 a.

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An article Cooperativity within the catalyst: alkoxyamide as a catalyst for bromocyclization and bromination of (hetero)aromatics WOS:000573314500029 published article about PHASE-TRANSFER CATALYSIS; ENANTIOSELECTIVE BROMOCYCLIZATION; SELECTIVE HALOGENATION; N-BROMOSUCCINIMIDE; HALOFUNCTIONALIZATION; HALOCYCLIZATION; TRYPTAMINE; REAGENT; ARENES; MILD in [Mondal, Haripriyo; Sk, Md Raja; Maji, Modhu Sudan] Indian Inst Technol Kharagpur, Dept Chem, Kharagpur 721302, W Bengal, India in 2020, Cited 48. Product Details of 151-10-0. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0

Alkoxyamide has been reported as a catalyst for the activation ofN-bromosuccinimide to perform bromocyclization and bromination of a wide range of substrates in a lipophilic solvent, where adequate suppression of the background reactions was observed. The key feature of the active site is the alkoxy group attached to the sulfonamide moiety, which facilitates the acceptance as well as the delivery of bromonium species from the bromine source to the substrates.

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An article Design, synthesis, and biological evaluation of 4-substituted-3,4-dihydrobenzo[h]quinoline-2,5,6(1H)-triones as NQO1-directed antitumor agents WOS:000539425800020 published article about OXIDOREDUCTASE 1 NQO1; DT-DIAPHORASE; OXIDATIVE STRESS; CANCER; CYTOTOXICITY; EXPRESSION; SENSITIVITY; METABOLISM; APOPTOSIS; REDUCTASE in [Wu, Li-Qiang; Liu, Zhao-Peng] Shandong Univ, Sch Pharmaceut Sci, Dept Med Chem, Key Lab Chem Biol,Minist Educ, Jinan 250012, Peoples R China; [Wu, Li-Qiang; Ma, Xin; Zhang, Chong] Xinxiang Med Univ, Sch Pharm, Xinxiang 453003, Henan, Peoples R China in 2020.0, Cited 44.0. SDS of cas: 93-02-7. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7

A novel series of 4-substituted-3,4-dihydrobenzo[h]quinoline-2,5,6(1H)-triones as NQO1-directed anti-tumor agents were designed, synthesized, biologically evaluated. Compounds 3n, 3o and 3j proved to be good NQO1 substrates that showed increased metabolic rates relative to that of beta-lapachone. In addition, 3n, 3o and 3j potently inhibited the growth of NQO1-rich breast cancer MCF-7 cell, liver hepatocellular HepG2 cell, and lung cancer A549 cell. In cellular mechanistic studies, the representative compound 3o triggered ROS generation depending on the NQO1 dose, and induce HepG2 cell apoptosis by the generated oxidative stress. In HepG2 xenografts mouse model, at the dose of 20 mg/kg, 3o remarkably suppressed the tumor growth without affecting the animal weights. (C) 2020 Elsevier Masson SAS. All rights reserved.

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Product Details of 99-04-7. In 2019 ASIAN J ORG CHEM 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. 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.

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Reference:
Isothiazole – Wikipedia,
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In 2020 MOLECULES published article about MOLECULAR-ORBITAL METHODS; CRYSTAL-STRUCTURES; CARBOXYLIC-ACIDS; GAS-PHASE; 2-FLUOROBENZOIC ACID; HIRSHFELD SURFACES; INFRARED-SPECTRA; ENERGY; PHOTOCHEMISTRY; DEGRADATION in [Ildiz, Gulce Ogruc; Fausto, Rui] Univ Coimbra, Dept Chem, CQC, P-3004535 Coimbra, Portugal; [Ildiz, Gulce Ogruc] Istanbul Kultur Univ, Fac Sci & Letters, Dept Phys, Atakoy Campus, TR-34156 Istanbul, Turkey in 2020, Cited 85. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2. Recommanded Product: 385-00-2

This article presents a detailed comprehensive investigation of the ortho fluoro- and chloro- substituted benzoic acids both, as isolated molecules and in the crystalline phase. Quantum chemical calculations performed within the density functional theory (DFT) formalism are used to investigate the potential energy landscapes of the molecules, taking into special consideration the effects of the interactions between the carboxylic group and the ortho halogen substituents, as well as the nature of these later on the structure and properties of the investigated systems. The structures of the relevant conformers of the molecules are discussed in comparative terms, and used to rationalize experimental data obtained for the compounds in the gas phase and isolated in low-temperature inert matrices. The UV-induced photofragmentation reactions of two of the compounds isolated in cryogenic inert matrices were studied as illustrative cases. The structures of the crystals reported previously in the literature are revisited and discussed also in a comparative basis. Particular emphasis is given to the analysis of the intermolecular interactions in the different crystals, using Hirshfeld surface analysis, the CE-B3LYP energy decomposition model and the HOMA index, and to their correlation with thermodynamic data.

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Reference:
Isothiazole – Wikipedia,
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Quality Control of 3-Methylbenzoic acid. Zhou, SQ; Zhang, WQ; Sun, JL; Zhu, S; Li, K; Meng, XY; Luo, JM; Shi, Z; Zhou, DD; Crittenden, JC in [Zhou, Shiqing; Sun, Julong; Shi, Zhou] Hunan Univ, Coll Civil Engn, Key Lab Bldg Safety & Energy Efficiency, Minist Educ,Dept Water Engn & Sci, Changsha 410082, Hunan, Peoples R China; [Zhang, Weiqiu; Meng, Xiaoyang; Luo, Jinming; Crittenden, John C.] Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA; [Zhang, Weiqiu; Meng, Xiaoyang; Luo, Jinming; Crittenden, John C.] Georgia Inst Technol, Brook Byers Inst Sustainable Syst, Atlanta, GA 30332 USA; [Zhu, Shumin] Tongji Univ, Coll Environm Sci & Engn, Shanghai 200092, Peoples R China; [Li, Ke] Univ Georgia, Coll Engn, Athens, GA 30602 USA; [Zhou, Dandan] Northeast Normal Univ, Sch Environm, Changchun 130024, Jilin, Peoples R China published Oxidation Mechanisms of the UV/Free Chlorine Process: Kinetic Modeling and Quantitative Structure Activity Relationships in 2019.0, Cited 59.0. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

Recently, the UV/free chlorine process has gained attention as a promising technology for destroying refractory organic contaminants in the aqueous phase. We have developed a kinetic model based on first-principles to describe the kinetics and mechanisms of the oxidation of organic contaminants in the UV/free chlorine process. Substituted benzoic acid compounds (SBACs) were chosen as the target parent contaminants. We determined the second-order rate constants between SBACs and reactive chlorine species (RCS; including Cl center dot, Cl-2(-)center dot and ClO center dot) by fitting our model to the experimental results. We then predicted the concentration profiles of SBACs under various operational conditions. We analyzed the kinetic data and predicted concentration profiles of reactive radicals (HO center dot and RCS), we found that ClO center dot was the dominant radicals for SBACs destruction. In addition, we established quantitative structure activity relationships (QSARs) that can help predict the second-order rate constants for SBACs destruction by each type of reactive radicals using SBACs Hammett constants. Our first-principles-based kinetic model has been verified using experimental data. Our model can facilitate a design for the most cost-effective application of the UV/free chlorine process. For example, our model can determine the optimum chlorine dosage and UV light intensity that result in the lowest energy consumption.

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Reference:
Isothiazole – Wikipedia,
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Recently I am researching about SYNERGISTIC CATALYSIS; CONJUGATE ADDITION; ELECTRON-TRANSFER; LEWIS-ACID; ALCOHOLS; KETONES; PHOTOCATALYSIS; EQUIVALENTS; DERIVATIVES; ACTIVATION, Saw an article supported by the National Research Foundation of Korea (NRF) – Korean government (MSIP) [Nos.NRF -2019R1A2C2087018, 2019R1A4A2001440, 2019R1H1A2080189]. Application In Synthesis of Benzoic anhydride. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Kim, JY; Lee, YS; Choi, Y; Ryu, D. The CAS is 93-97-0. Through research, I have a further understanding and discovery of Benzoic anhydride

Enantioselective 1,2-addition reaction of alpha-aminoalkyl radical to alpha,beta-unsaturated or aromatic aldehydes to synthesize highly optically active beta-amino alcohols has been developed. In the presence of chiral oxazaborolidinium ion catalyst and photosensitizer, the reaction provides desired beta-amino allylic or benzylic alcohols with high yields (up to 99%) and high enantioselectivities (up to 98% ee).

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

Recently I am researching about EFFICIENT SYNTHESIS; TRICHLOROACETIMIDATE; ANTICANCER; NANOPARTICLES; APOPTOSIS, Saw an article supported by the Science & Technology Development Fund in Egypt STDFScience and Technology Development Fund (STDF) [22909]. Published in ROYAL SOC CHEMISTRY in CAMBRIDGE ,Authors: El Rayes, SM; Aboelmagd, A; Gomaa, MS; Fathalla, W; Ali, IAI; Pottoo, FH; Khan, FA. The CAS is 151-10-0. Through research, I have a further understanding and discovery of 1,3-Dimethoxybenzene. Quality Control of 1,3-Dimethoxybenzene

A series of 24 compounds were synthesized based on structure modification of the model methyl-3-(4-chlorophenyl)-3-hydroxy-2,2-dimethylpropanoate as potent HDACIs. Saponification and hydrazinolysis of the model ester afforded the corresponding acid and hydrazide, respectively. The model ester was transformed into the corresponding trichloroacetimidate or acetate by the reaction with trichloroacetonitrile and acetic anhydride, respectively. N-Alkyl-3-(4-chlorophenyl)-3-hydroxy-2,2-dimethylpropan-amides and methyl-2-[(3-(4-chlorophenyl)-3-hydroxy-2,2-dimethylpropanoyl)amino] alkanoates were obtained by the reaction of corresponding acid or hydrazide with amines and amino acid esters via DCC and azide coupling methods. Methyl-3-aryl-3-(4-chlorophenyl)-2,2-dimethylpropanoates were obtained in good yields and short reaction time from the corresponding trichloroacetimidate or acetate by the reaction with C-active nucleophiles in the presence of TMSOTf (0.1 eq.%) via C-C bond formation. The antiproliferative and apoptotic activity were further studied with molecular docking. The 48 post-treatments showed that out of 24 compounds, 12 compounds showed inhibitory actions on HCT-116 cells, we have calculated the inhibitory action (IC50) of these compounds on HCT-116 and we have found that the IC50 values were in between 0.12 mg mL(-1) to 0.81 mg mL(-1). The compounds (7a & 7g) showed highest inhibitory activity (0.12 mg mL(-1)), whereas compound 7d showed the lowest inhibitory activity (0.81 mg mL(-1)). We have also examined inhibitory action on normal and non-cancerous cells (HEK-293 cells) and confirmed that action of these compounds was specific to cancerous cells. The cancerous cells were also examined for nuclear disintegration through staining with DAPI, (4 ‘,6-diamidino-2-phenylindole) is a blue-fluorescent DNA stain, and we have found that there was loss of DAPI staining in the compound treated cancerous cells. The compounds were found to potentially act through the HSP90 and TRAP1 mediated signaling pathway. Compounds 7a and 7g showed the highest selectivity to TRAP1 which explained its superior activity.

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An article Synthetic Studies toward the Total Synthesis of Tautomycetin WOS:000489201000010 published article about STEREOSELECTIVE ALDOL CONDENSATIONS; MALEIC-ANHYDRIDE SEGMENT; ABSOLUTE-CONFIGURATION; ADDITION-REACTIONS; REAGENTS; IMMUNOSUPPRESSANT; CHEMISTRY; KETONES; ESTERIFICATION; BIOSYNTHESIS in [de Sant’Ana, Danilo Pereira; Rezende Junior, Celso de Oliveira; Dias, Luiz Carlos] Univ Estadual Campinas, Inst Chem, BR-13083970 Campinas, SP, Brazil; [de Sant’Ana, Danilo Pereira; Campagne, Jean-Marc; de Figueiredo, Renata Marcia] Univ Montpellier, UMR 5253, Inst Charles Gerhardt, CNRS,ENSCM, 240 Ave Prof Emile Jeanbrau, F-34296 Montpellier 5, France; [de Sant’Ana, Danilo Pereira] Eurofarma 3-565,Presidente Castelo Branco Highway, BR-06696000 Itapevi, SP, Brazil; [Rezende Junior, Celso de Oliveira] Univ Fed Uberlandia, Inst Chem, BR-38400902 Uberlandia, MG, Brazil in 2019, Cited 60. The Name is Benzoic anhydride. Through research, I have a further understanding and discovery of 93-97-0. Product Details of 93-97-0

The studies culminating in the synthesis of two large subunits of tautomycetin are described. The first one, fragment C1-C12 that has an anti-1,3-dimethyl system and a terminal diene unit, was accomplished in 10 linear steps in 7.4% overall yield. The second one, fragment C13-C25 which bears the sensitive anhydride framework and the majority of the stereogenic centers, was prepared in 13 linear steps (longest sequence) in 8% overall yield. Among the key transformations used, a regioselective epoxide opening, a Pd-catalyzed addition of terminal alkyne to acceptor alkyne, a Mukaiyama aldol reaction, a Yamaguchi esterification, and a homemade mild di-esterification can be cited. The chosen strategies allowed good yields, stereoselectivity, reproducibility, and scalability for several important intermediates.

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Isothiazole – Wikipedia,
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