Tag: M.W=100-150

Recently I am researching about N-HETEROCYCLIC CARBENES; MIYAURA COUPLING REACTIONS; PD-NHC PRECATALYST; SUZUKI-MIYAURA; 1.3-DIPOLARE CYCLOADDITIONEN; GOLD(I) COMPLEXES; ORGANISCHER AZIDE; PINCER LIGAND; ARYL; ESTERS, Saw an article supported by the PRODEP [UAEH-PTC-792]. Published in WILEY-V C H VERLAG GMBH in WEINHEIM ,Authors: De la Fuente-Olvera, AA; Suarez-Castillo, OR; Mendoza-Espinosa, D. The CAS is 95-49-8. Through research, I have a further understanding and discovery of 1-Chloro-2-methylbenzene. Safety of 1-Chloro-2-methylbenzene

A series of allyl (1-3) and cinnamyl (4-6) palladium(II) complexes supported by hydroxyl functionalized triazolylidenes have been prepared. All new compounds were fully characterized by means of H-1 and C-13 NMR spectroscopy, FT-IR and elemental analyses. The new triazolylidene palladium complexes were tested as precatalysts in the coupling of aryl chlorides with boronic acids and the coupling of esters with amines to produce biphenyls and amides, respectively. According to the overall results, complexes 4 and 5 displayed the highest catalytic activity in both coupling processes, providing good to excellent yields under mild reaction conditions and using a wide range of substrates.

Safety of 1-Chloro-2-methylbenzene. About 1-Chloro-2-methylbenzene, If you have any questions, you can contact De la Fuente-Olvera, AA; Suarez-Castillo, OR; Mendoza-Espinosa, D 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

HPLC of Formula: C7H7Cl. Authors Gupta, SSR; Vinu, A; Kantam, ML in WILEY-V C H VERLAG GMBH published article about in [Gupta, Shyam Sunder R.; Kantam, Mannepalli Lakshmi] Inst Chem Technol, Dept Chem Engn, Mumbai 400019, Maharashtra, India; [Vinu, Ajayan] Univ Newcastle, Fac Engn & Built Environm, Sch Engn, Global Innovat Ctr Adv Nanomat GICAN, Callaghan, NSW 2308, Australia in 2021.0, Cited 62.0. The Name is 1-Chloro-2-methylbenzene. Through research, I have a further understanding and discovery of 95-49-8

One-pot synthesis of furan-2,5-dimethylcarboxylate (FDMC) from 5-hydroxymethylfurfural (HMF) is highly demanding for the commercial production of polyethylene furanoate (PEF). Herein, a direct synthesis of FDMC is reported from oxidative esterification of HMF using ultrafine CuO particles dispersed on nitrogen-doped hollow carbon nanospheres (CuO/N-C-HNSs) as a catalyst and tert-butyl hydroperoxide (TBHP) as an oxidizing and methylating reagent. The CuO/N-C-HNSs was prepared through a template protection-sacrifice strategy using SiO2 as a sacrificial template and histidine as the precursor for N and C. N-doping facilitated a strong interaction between the support and copper species, affording formation of CuO nanoparticles of less than 10 nm in size. By virtue of the highly dispersed CuO nanoparticles and a high BET surface area 373 m(2)/g, the CuO/N-C-HNSsshows excellent catalytic performance in the selective conversion of HMF into FDMC affording 93 % yield of the desired product with a TON value of 49. Furthermore, the oxidative esterification involving (SPC)-C-3-H bond functionalization is also demonstrated using the same catalyst.

HPLC of Formula: C7H7Cl. About 1-Chloro-2-methylbenzene, If you have any questions, you can contact Gupta, SSR; Vinu, A; Kantam, ML 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

Product Details of 95-49-8. I found the field of Chemistry very interesting. Saw the article Nickel(ii) and nickel(0) complexes as precursors of nickel nanoparticles for the catalytic hydrogenation of benzonitrile published in 2020.0, Reprint Addresses Garcia, JJ (corresponding author), Univ Nacl Autonoma Mexico, Fac Quim, Mexico City 04510, DF, Mexico.. The CAS is 95-49-8. Through research, I have a further understanding and discovery of 1-Chloro-2-methylbenzene.

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.

Product Details of 95-49-8. About 1-Chloro-2-methylbenzene, If you have any questions, you can contact Rodriguez, AA; Garduno, JA; Garcia, JJ 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

Recommanded Product: 87-63-8. Authors Dinh, AN; Maddox, SM; Vaidya, SD; Saputra, MA; Nalbandian, CJ; Gustafson, JL in AMER CHEMICAL SOC published article about in [Dinh, Andrew N.; Maddox, Sean M.; Vaidya, Sagar D.; Saputra, Mirza A.; Nalbandian, Christopher J.; Gustafson, Jeffrey L.] San Diego State Univ, Dept Chem & Biochem, San Diego, CA 92182 USA in 2020, Cited 54. The Name is 2-Chloro-6-methylaniline. Through research, I have a further understanding and discovery of 87-63-8

We report a highly efficient ortho-selective electrophilic chlorination of phenols utilizing a Lewis basic selenoether catalyst. The selenoether catalyst resulted in comparable selectivities to our previously reported bis-thiourea ortho-selective catalyst, with a catalyst loading as low as 1%. The new catalytic system also allowed us to extend this chemistry to obtain excellent ortho-selectivities for unprotected anilines. The selectivities of this reaction are up to >20:1 ortho/para, while the innate selectivities for phenols and anilines are approximately 1:4 ortho/para. A series of preliminary studies revealed that the substrates require a hydrogen-bonding moiety for selectivity.

About 2-Chloro-6-methylaniline, If you have any questions, you can contact Dinh, AN; Maddox, SM; Vaidya, SD; Saputra, MA; Nalbandian, CJ; Gustafson, JL or concate me.. Recommanded Product: 87-63-8

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

An article Design, synthesis and application of triazole ligands in suzuki miyaura cross coupling reaction of aryl chlorides WOS:000517780500022 published article about PALLADIUM-CATALYZED SUZUKI; STATE; BASE in [Jabeen, Sobia; Khera, Rasheed Ahmad; Iqbal, Javed] Univ Agr Faisalabad, Dept Chem, Faisalabad 38040, Pakistan; [Iqbal, Javed] Univ Agr Faisalabad, Punjab Bioenergy Inst, Faisalabad 38040, Pakistan; [Asgher, Muhammad] Univ Agr Faisalabad, Dept Biochem, Faisalabad 38040, Pakistan in 2020.0, Cited 33.0. The Name is 1-Chloro-2-methylbenzene. Through research, I have a further understanding and discovery of 95-49-8. Formula: C7H7Cl

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.

Formula: C7H7Cl. 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

An article Ligand Control of Palladium-Catalyzed Site-Selective alpha- and gamma-Arylation of alpha,beta-Unsaturated Ketones with (Hetero)aryl Halides WOS:000586299200001 published article about REDUCTIVE ELIMINATION; CARBONYL-COMPOUNDS; ARYL HALIDES; DESIGN; POSITION; ACETONE; BONDS in [Yuen, On Ying; So, Chau Ming] Hong Kong Polytech Univ, Dept Appl Biol & Chem Technol, Hung Hom, Hong Kong, Peoples R China; [Yuen, On Ying; So, Chau Ming] Hong Kong Polytech Univ, State Key Lab Chem Biol & Drug Discovery, Hung Hom, Kowloon, Hong Kong, Peoples R China; [So, Chau Ming] Hong Kong Polytech Univ, Shenzhen Res Inst, Shenzhen, Peoples R China in 2020.0, Cited 45.0. The Name is 1-Chloro-2-methylbenzene. Through research, I have a further understanding and discovery of 95-49-8. Computed Properties of C7H7Cl

This study describes the first palladium-catalyzed, site-selective alpha- and gamma-arylation of alpha,beta-unsaturated ketones with (hetero)aryl halides. A wide range of hetero(aryl)halides coupled with alpha,beta-unsaturated ketones, and transformation into the arylated products proceeded with excellent to good yields. The site selectivity of the reaction is switchable by simply changing the phosphine ligand to access either alpha-arylated or gamma-arylated products in good to excellent yields by using a low catalyst loading, and the method demonstrates good functional-group compatibility.

About 1-Chloro-2-methylbenzene, If you have any questions, you can contact Yuen, OY; So, CM or concate me.. Computed Properties of 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

An article Novel mixture descriptors for the development of quantitative structure-property relationship models for the boiling points of binary azeotropic mixtures WOS:000506712600055 published article about GENETIC ALGORITHM; DISTILLATION; PREDICTION; QSAR; EQUATION; TREE in [Faramarzi, Zohreh; Zare-Shahabadi, Vahid; Jahromi, Hossein Jalali] Islamic Azad Univ, Dept Chem, Mahshahr Branch, Mahshahr, Iran; [Abbasitabar, Fatemeh] Islamic Azad Univ, Dept Chem, Marvdasht Branch, Marvdasht, Iran in 2019.0, Cited 38.0. 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

Binary azeotropes, which contain two chemical constituents, are very common in industry. Understanding azeotropic properties is crucial for effectively separating binary azeotropes. Experimental and theoretical approaches such as ab initio have been used to estimate mixture properties but they are costly and time-consuming. The quantitative structure-property relationship (QSPR) model is a viable alternative approach. The most challenging problem in the QSPR study of mixtures is the computation of numerical descriptors to characterize a mixture. In this study, a series of twenty-two formulas were proposed to derive mixture descriptors from the molecular descriptors of the individual pure compounds. The derived mixture descriptors were employed to establish QSPR models to predict the boiling point of binary azeotropic mixtures. The QSPR model developed was found to be the best with R-train(ing)2 and R-test(2) of 0.92 and 0.90 on the basis of a novel proposed formula, in which some coefficients related to the potential energy contribution were used. Mean absolute errors (MAEs) associated with training and test sets were computed as 9.90 and 10.61, respectively. Twelve out of the twenty-two mixture descriptors resulted in the QSPR models with reasonable statistical qualities and, therefore, were taken into account in the production of an ensemble model via a simple averaging strategy. This caused to improve statistical quality of the final QSPR model. (C) 2019 Published by Elsevier B.V.

About 1-Chloro-2-methylbenzene, If you have any questions, you can contact Faramarzi, Z; Abbasitabar, F; Zare-Shahabadi, V; Jahromi, HJ or concate me.. Name: 1-Chloro-2-methylbenzene

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 BIOORG MED CHEM LETT published article about ACETYLCHOLINE-RECEPTOR AGONIST; PHARMACOLOGICAL CHARACTERIZATION; IDENTIFICATION; APOPTOSIS; SUBUNIT; RELEASE in [Li, Xin; Xie, Wenjun; Huang, Zongze; Sun, Qi] Peking Univ, Sch Pharmaceut Sci, State Key Lab Nat & Biomimet Drugs, Beijing 100191, Peoples R China; [Xie, Wenjun; Wang, Xintong; Bian, Xiling; Wang, KeWei] Peking Univ, Sch Pharmaceut Sci, Dept Mol & Cellular Pharmacol, Beijing 100191, Peoples R China; [Wang, KeWei] Qingdao Univ, Sch Pharm, Dept Pharmacol, Qingdao 266021, Shandong, Peoples R China in 2019, Cited 38. The Name is 2-Chloro-6-methylaniline. Through research, I have a further understanding and discovery of 87-63-8. Computed Properties of C7H8ClN

Structural modifications of nicotinamide, a form of vitamin B3, gave rise to a series of compounds (8aa-8ce) that exhibit activities as type I positive allosteric modulators (PAMs) of human alpha 7 nAChR expressed in Xenopus oocytes in two-electrode voltage clamp assay. The compound 8ai was a potent and efficacious PAM with an EC50 = 3.34 +/- 1.13 mu M and the maximum activation effect of alpha 7 current over 1474 +/- 246% in the presence of acetylcholine (100 mu M). It is highly specific to alpha 7 nAChR over other subtypes of nAChR and 5-HT3A receptors. The structure-activity relationship analysis identified a key skeleton of nicotinamide nucleus critical for biological activity. Taken together, the 8ai as a type I PAM of alpha 7 nAChR may be beneficial for improvement of cognitive deficit.

Computed Properties of C7H8ClN. About 2-Chloro-6-methylaniline, If you have any questions, you can contact Li, X; Xie, WJ; Wang, XT; Huang, ZZ; Bian, XL; 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

In 2020 ACS CATAL published article about HYDROGEN-EXCHANGE; AROMATIC-AMINES; SUBSTITUTED DIALKYLANILINES; ALKYLATION; ACTIVATION; MECHANISM; ACID in [Colomer, Ignacio] Univ Autonoma Madrid, Dept Organ Chem, Madrid 28049, Spain; [Colomer, Ignacio] IMDEA Nanociencia, Madrid 28049, Spain in 2020, Cited 65. The Name is 2-Chloro-6-methylaniline. Through research, I have a further understanding and discovery of 87-63-8. Recommanded Product: 87-63-8

Providing new methods for the selective functionalization of small molecules is highly desirable, because installing molecular diversity in a desired position, for example, allows one to modulate bioactive molecules. This work reports a method for the selective functionalization of anilines using hexafluoroisopropanol (HFIP) as a solvent to promote an acid-catalyzed hydroarylation of olefins. Mechanistic experiments revealed that HFIP both protonates the alkene and selectively enables anilines toward the electrophilic aromatic substitution. This powerful strategy has been applied to the functionalization of the anti-inflammatory mefenamic acid with chemocontrol and regiocontrol.

About 2-Chloro-6-methylaniline, If you have any questions, you can contact Colomer, I or concate me.. Recommanded Product: 87-63-8

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

I found the field of Chemistry very interesting. Saw the article Efficient synthesis of 2-aryl-2H-indazoles by base-catalyzed benzyl C-H deprotonation and cyclization published in 2020. Formula: C7H8ClN, Reprint Addresses Zhou, YB; Liu, MC (corresponding author), Wenzhou Univ, Coll Chem & Mat Engn, Wenzhou 325035, Peoples R China.. The CAS is 87-63-8. Through research, I have a further understanding and discovery of 2-Chloro-6-methylaniline

A straightforward and efficient method for the preparation of 2-aryl-2H-indazoles from ortho-alkyl substituted azoxybenzenes is presented. The reaction proceeds through base-catalyzed benzyl C-H deprotonation and cyclization to afford 2-aryl-2H-indazoles in good yields. This synthetic strategy can be applied to the construction of several fluorescent and bioactive molecules.

Formula: C7H8ClN. About 2-Chloro-6-methylaniline, If you have any questions, you can contact Jin, GQ; Gao, WX; Zhou, YB; Liu, MC; Wu, HY or concate me.

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