Month: October 2021

Zhang, YX; Zang, TT; Yan, B; Wei, CH in [Zhang, Yuxiu; Zang, Tingting] Chinese Acad Sci, Guangzhou Inst Geochem, State Key Lab Organ Geochem, Guangzhou 510640, Peoples R China; [Zhang, Yuxiu; Zang, Tingting] Univ Chinese Acad Sci, Beijing 100049, Peoples R China; [Yan, Bo] South China Normal Univ, Environm Res Inst, Guangzhou 510031, Peoples R China; [Wei, Chaohai] South China Univ Technol, Sch Environm & Energy, Minist Educ, Key Lab Pollut Control & Ecosyst Restorat Ind Clu, Guangzhou 510006, Peoples R China published Distribution Characteristics of Volatile Organic Compounds and Contribution to Ozone Formation in a Coking Wastewater Treatment Plant in 2020.0, Cited 57.0. Name: 1-Chloro-2-methylbenzene. The Name is 1-Chloro-2-methylbenzene. Through research, I have a further understanding and discovery of 95-49-8.

Ozone pollution, which can be caused by photochemical reactions, has become a serious problem. The ozone formation potential (OFP) is used to describe the photochemical reactivity. Volatile organic compounds (VOCs) are main precursors of ozone formation, and wastewater treatment plants (WWTPs) are important sources of VOCs. Therefore, it is necessary to study the concentration level and OFP of VOCs from WWTPs. In this work, a coking WWTP with anaerobic-oxic-oxic (A/O/O) processes in Shaoguan city, Guangdong province, China, was selected to investigate the characteristics of VOCs at wastewater treatment areas and office areas. The OFP of VOCs was estimated by the maximum incremental reactivity (MIR) coefficient method. Results showed that 17 VOCs were detected, and the total concentration of VOCs was the highest at the raw water tank (857.86 mu g m(-3)). The benzene series accounted for 69.0%-86.9% and was the main component of VOCs in the WWTP. Based on OFP data, the top six VOCs contributing most to the OFP were m-xylene, toluene, p-xylene, o-xylene, styrene, and benzene. This study provides field data and information on the environmental risk of VOCs for coking companies and environmental departments. We found that the priority control sources of VOCs were wastewater treatment units because of their larger OFP contributions.

Name: 1-Chloro-2-methylbenzene. About 1-Chloro-2-methylbenzene, If you have any questions, you can contact Zhang, YX; Zang, TT; Yan, B; Wei, CH or concate me.

Reference:
Patent; Nanjing Zhongteng Chemical Co., Ltd.; Zhong Hua; Lu Minshan; Chen Xiuzhen; Liu Qiaobao; Yin Hengbo; Wang Aili; (8 pag.)CN104876790; (2017); B;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

SDS of cas: 95-49-8. Recently I am researching about H BOND AMINATION; METAL-ORGANIC FRAMEWORKS; INTERMOLECULAR AMIDATION; C(SP(3))-H BONDS; 8-METHYLQUINOLINES; FUNCTIONALIZATION; OXIDATION; DESIGN; DERIVATIVES; MECHANISM, Saw an article supported by the . Published in ROYAL SOC CHEMISTRY in CAMBRIDGE ,Authors: Bao, FY; Cao, YB; Liu, WB; Zhu, JH. The CAS is 95-49-8. Through research, I have a further understanding and discovery of 1-Chloro-2-methylbenzene

Direct conversion of cheap methylarenes to benzylic amines, which are essential structural units of important drugs, is of great significance. However, the known methodologies suffer from the requirement of noble metal catalysts, heavy metal residues or strong oxidants. Herein, the first biocompatible iron-catalyzed benzylic C (sp(3))-H amination of methylarenes with N-fluorobenzenesulfonimide is described. The reactions of methylarenes bearing electron-donating groups and electron-withdrawing groups ran smoothly under ligand and additional oxidant free conditions. Both toluene derivatives and 8-methylquinoline can be aminated by the same iron catalyst.

About 1-Chloro-2-methylbenzene, If you have any questions, you can contact Bao, FY; Cao, YB; Liu, WB; Zhu, JH or concate me.. SDS of cas: 95-49-8

Reference:
Patent; Nanjing Zhongteng Chemical Co., Ltd.; Zhong Hua; Lu Minshan; Chen Xiuzhen; Liu Qiaobao; Yin Hengbo; Wang Aili; (8 pag.)CN104876790; (2017); B;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Application In Synthesis of 2-Chloro-6-methylaniline. Recently I am researching about ARYLATION; ALKYNES; INDOLOQUINOLINES; ACTIVATION; ACCESS; HYDROARYLATION; ANNULATION; ALKALOIDS, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21901184, 21572160, 21702091]; Doctoral Program Foundation of Tianjin Normal University [043135202-XB1703]; Program for Innovative Research Team in University of Tianjin [TD13-5074]; Science&Technology Development Fund of Tianjin Education Commission for Higher Education [:2018KJ159]. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Chen, C; Wang, YB; Shi, XN; Sun, W; Zhao, JH; Zhu, YP; Liu, LY; Zhu, BL. The CAS is 87-63-8. Through research, I have a further understanding and discovery of 2-Chloro-6-methylaniline

Here we report a protocol to synthesize diversiform fluorinated isocryptolepine analogues with potential biological activities in one step via directed C-2 and C-3 dual C-H functionalization of indoles. We also attempted to take into account fluorinated imidoyl chlorides as a novel kind of synthons in the directed C-H functionalization reactions. As a result, a variety of fluorinated isocryptolepine analogues were obtained in up to 96% yield. Moreover, we conducted control experiments to disclose the reaction mechanism.

Application In Synthesis of 2-Chloro-6-methylaniline. About 2-Chloro-6-methylaniline, If you have any questions, you can contact Chen, C; Wang, YB; Shi, XN; Sun, W; Zhao, JH; Zhu, YP; Liu, LY; Zhu, BL or concate me.

Reference:
Patent; ASTRAZENECA AB; NPS PHARMACEUTICALS, INC.; WO2006/20879; (2006); A1;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Yao, Y; Kadam, RU; Lee, CCD; Woehl, JL; Wu, NC; Zhu, XY; Kitamura, S; Wilson, IA; Wolan, DW in [Yao, Yao; Woehl, Jordan L.; Kitamura, Seiya; Wolan, Dennis W.] Scripps Res Inst, Dept Mol Med, La Jolla, CA 92037 USA; [Kadam, Rameshwar U.; Lee, Chang-Chun David; Wu, Nicholas C.; Zhu, Xueyong; Wilson, Ian A.; Wolan, Dennis W.] Scripps Res Inst, Dept Integrat Struct & Computat Biol, La Jolla, CA 92037 USA; [Wilson, Ian A.] Scripps Res Inst, Skaggs Inst Chem Biol, La Jolla, CA 92037 USA published An influenza A hemagglutinin small-molecule fusion inhibitor identified by a new high-throughput fluorescence polarization screen in 2020, Cited 45. Recommanded Product: 2,4-Dichlorobenzoic acid. The Name is 2,4-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-84-0.

Influenza hemagglutinin (HA) glycoprotein is the primary surface antigen targeted by the host immune response and a focus for development of novel vaccines, broadly neutralizing antibodies (bnAbs), and therapeutics. HA enables viral entry into host cells via receptor binding and membrane fusion and is a validated target for drug discovery. However, to date, only a very few bona fide small molecules have been reported against the HA. To identity new antiviral lead candidates against the highly conserved fusion machinery in the HA stem, we synthesized a fluorescence-polarization probe based on a recently described neutralizing cyclic peptide P7 derived from the complementarity-determining region loops of human bnAbs FI6v3 and CR9114 against the HA stem. We then designed a robust binding assay compatible with high-throughput screening to identify molecules with low micromolar to nanomolar affinity to influenza A group 1 HAs. Our simple, low-cost, and efficient in vitro assay was used to screen H1/Puerto Rico/8/1934 (H1/PR8) HA trimer against similar to 72,000 compounds. The crystal structure of H1/PR8 HA in complex with our best hit compound F0045(S) confirmed that it binds to pockets in the HA stem similar to bnAbs FI6v3 and CR9114, cyclic peptide P7, and small-molecule inhibitor JNJ4796. F0045 is enantioselective against a panel of group 1 HAs and F0045(S) exhibits in vitro neutralization activity against multiple H1N1 and H5N1 strains. Our assay, compound characterization, and small-molecule candidate should further stimulate the discovery and development of new compounds with unique chemical scaffolds and enhanced influenza antiviral capabilities.

Recommanded Product: 2,4-Dichlorobenzoic acid. About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Yao, Y; Kadam, RU; Lee, CCD; Woehl, JL; Wu, NC; Zhu, XY; Kitamura, S; Wilson, IA; Wolan, DW or concate me.

Reference:
Chloride – Wikipedia,
,Chlorides – an overview | ScienceDirect Topics

In 2020.0 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 2020.0, Cited 85.0. The Name is 2,6-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-30-6. COA of Formula: C7H4Cl2O2

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.

About 2,6-Dichlorobenzoic acid, If you have any questions, you can contact Ildiz, GO; Fausto, R or concate me.. COA of Formula: C7H4Cl2O2

Reference:
Chloride – Wikipedia,
,Chlorides – an overview | ScienceDirect Topics

Authors Rodriguez, AA; Garduno, JA; Garcia, JJ in ROYAL SOC CHEMISTRY published article about SELECTIVE HYDROGENATION; PRIMARY AMINES; NITRILES; ALDEHYDES; KETONES; IMINES in [Rodriguez, Alejandro A.; Garduno, Jorge A.; Garcia, Juventino J.] Univ Nacl Autonoma Mexico, Fac Quim, Mexico City 04510, DF, Mexico in 2020.0, Cited 37.0. Category: chlorides-buliding-blocks. The Name is 1-Chloro-2-methylbenzene. Through research, I have a further understanding and discovery of 95-49-8

The use of the nickel(ii) complex [(TEEDA)NiCl2] (1; TEEDA= N,N,N ‘,N ‘-tetraethyl-ethylendiamine) and nickel(0) complex [Ni(COD)(2)] (5) as pre-catalysts in the additive-free catalytic hydrogenation of benzonitrile (BN) is reported. In the presence of 1 (1 mol%), BN was hydrogenated under relatively mild reaction conditions (100 degrees C, 120 psi H-2, 72 h) to the corresponding secondary imine, N-benzylidenebenzylamine (BBA), in very good yield (83%). As a counterpart, 5 (1 mol%) selectively hydrogenated BN to benzylamine (BA) in excellent yield (96%) under similar reaction conditions (80 degrees C, 120 psi H-2, 24 h). In both cases, nickel nanoparticles (Ni-NPs) were identified as the catalytically active species. These Ni-NPs were formed in situ from 1 and 5 without external additives or additional stabilizers. The use of complex 5 was extended to the hydrogenation of different (hetero) aromatic and aliphatic nitriles.

About 1-Chloro-2-methylbenzene, If you have any questions, you can contact Rodriguez, AA; Garduno, JA; Garcia, JJ or concate me.. Category: chlorides-buliding-blocks

Reference:
Patent; Nanjing Zhongteng Chemical Co., Ltd.; Zhong Hua; Lu Minshan; Chen Xiuzhen; Liu Qiaobao; Yin Hengbo; Wang Aili; (8 pag.)CN104876790; (2017); B;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

I found the field of Engineering; Environmental Sciences & Ecology very interesting. Saw the article TiC doped palladium/nickel foam cathode for electrocatalytic hydrodechlorination of 2,4-DCBA: Enhanced electrical conductivity and reactive activity published in 2019. Recommanded Product: 2,4-Dichlorobenzoic acid, Reprint Addresses Xu, XH (corresponding author), Zhejiang Univ, Coll Environm & Resource Sci, Dept Environm Engn, Hangzhou 310058, Zhejiang, Peoples R China.. The CAS is 50-84-0. Through research, I have a further understanding and discovery of 2,4-Dichlorobenzoic acid

Titanium carbide (TiC) with excellent electrical conductivity, chemical and thermal stabilities has been recognized as one of the most promising electrocatalysts. A novel cathode, titanium carbide doped palladium/nickel foam (TiC-Pd/Ni foam), was synthesized via electroless deposition to improve the performance of Pd/Ni foam in electrocatlytic hydrodechlorination (ECH). TiC can be co-precipitated onto the surface of cathode during galvanic replacement reaction between Pd(II) solution and Ni foam. Both constant potential and constant current tests proved that TiC-Pd/Ni foam cathode performed remarkably higher activity for 2,4-dichlorobenzoic acid (2,4-DCBA) than Pd/Ni foam cathode, owing to the excellent conductivity of TiC and enhanced water dissociation over TiC-Pd/Ni foam cathode. Under the optimized reaction conditions of -0.85 V (vs Ag/AgCl), electrolyte of 10 mM and initial pH of 4, 99.8% of aqueous 2,4-DCBA (0.2 mM) was removed within 90 min. The removal process of the aqueous 2,4-DCBA obeyed first-order decay kinetic model. Over 86.3% of 2,4-DCBA can still be removed by TiC-Pd/Ni foam cathode in the fifth consecutive run within 120 min, which was much higher than that of Pd/Ni foam cathode (37.5%). Consequently, TiC-Pd/Ni foam cathode was a promising design for enhanced ECH activity and reduced operation cost.

About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Lou, ZM; Li, YZ; Zhou, JS; Yang, KL; Liu, YL; Baig, SA; Xu, XH or concate me.. Recommanded Product: 2,4-Dichlorobenzoic acid

Reference:
Chloride – Wikipedia,
,Chlorides – an overview | ScienceDirect Topics

Recommanded Product: 95-49-8. Recently I am researching about PALLADIUM-CATALYZED SUZUKI; STATE; BASE, Saw an article supported by the Higher Education Commission (HEC) of PakistanHigher Education Commission of Pakistan. Published in ELSEVIER in AMSTERDAM ,Authors: Jabeen, S; Khera, RA; Iqbal, J; Asgher, M. The CAS is 95-49-8. Through research, I have a further understanding and discovery of 1-Chloro-2-methylbenzene

DFT calculations have been demonstrated to be a valuable tool for the mechanistic study of reaction which is difficult to acquire from pure experimental techniques. Structural, electronic and coordination aspects of synthesized triazole ligands were investigated theoretically by structure optimization on Gaussian 09 package by DFT approach at B3LYP/6-31G (d, p). HOMO-LUMO energy gaps correlated to its chemical reactivity and this information applied to interpret the role of ligand in the formation of ligand-metal complex. Electron rich environment around the triazole core stabilized the HOMO orbital and made these electrons available to form complex with Pd centre. The DFT calculations provide a plausible mechanism for the reaction that is consistent with the available experimental facts. A series of triazole ligands have been synthesized via efficient 1,3-dipolar cycloaddition of readily available azide and alkynes for coordination to Pd centre. Characterization of all the synthesized compounds was done by FTIR, H-1 NMR, C-13 NMR and HRMS. Their ligand-Pd complexes provided excellent yields in the Suzuki-Miyaura coupling reactions (up to 92% yield) of unactivated aryl chlorides. Ligand 4-(2,6-dimethoxyphenyl)-1-phenyl-1H-1,2,3-triazole (L2) was found to be most effective ligand because of electron donating 2,6 dimethoxy phenyl moiety attached to triazole ring at 4-position that facilitated the formation of electron rich ligand-catalyst complex. The complex favoured the oxidative addition step of Pd across the aryl chloride substrate and thus allowed for the development of highly active ligand-catalyst system for Suzuki reaction. During computational analysis, 4-(2,6-dimethoxyphenyl)-1-phenyl-1H-1,2,3-triazole (L2) also showed lowest band gap due to electron rich distribution pattern on the HOMO that are involve in ligand-Pd complex formation. Conclusively, these triazoles ligands were found to be more competent and attractive for palladium catalyst because of simplistic pathway for the synthesis of triazole motif and the ease of individual tuning of the substituents on triazole core or exocyclic to it. (C) 2020 Elsevier B.V. All rights reserved.

Recommanded Product: 95-49-8. About 1-Chloro-2-methylbenzene, If you have any questions, you can contact Jabeen, S; Khera, RA; Iqbal, J; Asgher, M or concate me.

Reference:
Patent; Nanjing Zhongteng Chemical Co., Ltd.; Zhong Hua; Lu Minshan; Chen Xiuzhen; Liu Qiaobao; Yin Hengbo; Wang Aili; (8 pag.)CN104876790; (2017); B;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

In 2019 J MED CHEM published article about VITRO PHARMACOLOGICAL CHARACTERIZATION; RELEASE; AGONIST; SCHIZOPHRENIA; DISCOVERY; TARGETS; SERIES; ACID in [Li, Yuanheng; Jiao, Wenxuan; Huang, Zongze; Meng, Ying; Luo, Laichun; Wang, KeWei; Sun, Qi] Peking Univ, Sch Pharmaceut Sci, State Key Lab Nat & Biomimet Drugs, Beijing 100191, Peoples R China; [Sun, Lilan; Zhang, Fang; Wang, KeWei] Qingdao Univ, Sch Pharm, Dept Pharmacol, Qingdao 266021, Peoples R China; [Yang, Taoyi; Tang, Jingshu; Huang, Xiaomin; Wang, Xintong; Bian, Xiling; Wang, KeWei] Peking Univ, Sch Pharmaceut Sci, Dept Mol & Cellular Pharmacol, Beijing 100191, Peoples R China in 2019, Cited 49. The Name is 2-Chloro-6-methylaniline. Through research, I have a further understanding and discovery of 87-63-8. Name: 2-Chloro-6-methylaniline

A series of novel thiazolo[4,5-d]pyrimidin-7(6H)-ones (3aa-3eq) were designed, synthesized, and evaluated as the type I positive allosteric modulators of human alpha 7 nAChR expressed in Xenopus ooctyes by a two-electrode voltage clamp. The structure-activity relationship analysis identified the compound 3ea as a potent and efficacious PAM with the maximum activation effect of the alpha 7 current of over 1633% in the presence of acetylcholine (100 mu M) and an EC50 = 1.26 mu M. It is highly specific to alpha 7 nAChR over other subtypes of nAChR, 5-HT3A, NMDA, and GABA(A) receptors. Compound 3ea showed an elimination half-life of 10.8 +/- 1.5 h for 3 mg/kg, i.v., and 7.4 +/- 1.1 h for 60 mg/kg, i.g. in rat. It also exhibited sufficient blood-brain barrier penetration with no significant effect on hERG channel. Most importantly, compound 3ea dose-dependently (0.1-1 mg/kg, i.p.) reversed the prepulse inhibition deficit induced by MK-801 in the mouse schizophrenia model. X

Name: 2-Chloro-6-methylaniline. About 2-Chloro-6-methylaniline, If you have any questions, you can contact Li, YH; Sun, LL; Yang, TY; Jiao, WX; Tang, JS; Huang, XM; Huang, ZZ; Meng, Y; Luo, LC; Wang, XT; Bian, XL; Zhang, F; Wang, KW; Sun, Q or concate me.

Reference:
Patent; ASTRAZENECA AB; NPS PHARMACEUTICALS, INC.; WO2006/20879; (2006); A1;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

An article Study on the influence of small molecular gases on toluene reforming in molten salt WOS:000536952200068 published article about COAL-GASIFICATION; PYROLYSIS; BIOMASS; TAR; CATALYST; DISSOCIATION; COMPONENTS; CONVERSION; MECHANISM; CARBON in [Yang, Fu; Hu, Hongyun; Gao, Qiang; Yang, Yuhan; Tang, Hua; Xie, Kang; Liu, Huan; Yao, Hong] Huazhong Univ Sci & Technol, Sch Energy & Power Engn, State Key Lab Coal Combust, Wuhan 430074, Peoples R China; [Liu, Huan] Huazhong Univ Sci & Technol, Sch Energy & Power Engn, Dept New Energy Sci & Engn, Wuhan 430074, Peoples R China; [He, Yao] Guangdong Univ Technol, Sch Environm Sci & Engn, Inst Environm Hlth & Pollut Control, Guangzhou Key Lab Environm Catalysis & Pollut Con, Guangzhou 510006, Peoples R China in 2020.0, Cited 32.0. COA of Formula: C7H7Cl. The Name is 1-Chloro-2-methylbenzene. Through research, I have a further understanding and discovery of 95-49-8

The upgrading of tar is a key issue for the sufficient application of biowaste pyrolysis technology. Molten salt, with high migration and diffusion of ions to prevent the deactivation of coke deposition of tar reforming functional metals, is considered as a feasible catalytic reaction medium and heat carrier for the upgrading of tar. The present study investigated the interactions between small molecular pyrolysis gases (including H-2, CO, CH4) and main tar model compound in ternary carbonate eutectics (Li2CO3-Na2CO3-K2CO3). The results demonstrated that H-2 could be decomposed to produce H radicals, promoting the conversion of toluene into gaseous products. CO32- could consume H radicals required by toluene cracking, making the process toluene polymerized to polycyclic aromatic hydrocarbons be strengthened. On the other hand, CO would react with OH radicals to produce H radicals and could enhance gas-generating process. In addition, toluene could react with CO to form benzaldehyde and phenylacetaldehyde. With the addition of CH4, more H radicals were supposed to be consumed, and toluene cracking process was further inhibited. Finally, the effect sequence of small molecular gases (H-2 > CH4 > CO) on toluene reforming reaction was authenticated by investigating the impacts of introducing any two gases in toluene reforming. (C) 2020 Elsevier Ltd. All rights reserved.

About 1-Chloro-2-methylbenzene, If you have any questions, you can contact Yang, F; Hu, HY; Gao, Q; Yang, YH; Tang, H; Xie, K; Liu, H; He, Y; Yao, H or concate me.. COA of Formula: C7H7Cl

Reference:
Patent; Nanjing Zhongteng Chemical Co., Ltd.; Zhong Hua; Lu Minshan; Chen Xiuzhen; Liu Qiaobao; Yin Hengbo; Wang Aili; (8 pag.)CN104876790; (2017); B;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics