Safety of 1-Chloro-2-methylbenzene. I found the field of Chemistry very interesting. Saw the article Homoleptic cis- and trans-palladium(II) bis(guanidinato) complexes derived from N-aryl-N ‘,N ”-di(pyridin-2-yl)- and N-aryl-N ‘,N ”-bis(6-methylpyridin-2-yl)guanidines: Catalysts for Heck-Mizoroki coupling reactions published in 2019.0, Reprint Addresses Thirupathi, N (corresponding author), Univ Delhi, Dept Chem, Delhi 110007, India.. The CAS is 95-49-8. Through research, I have a further understanding and discovery of 1-Chloro-2-methylbenzene.
N-Aryl-N’,N ‘-di(pyridin-2-yl)-and N-aryl-N’,N ”-bis(6-methylpyridin-2-yl) guanidines (1-4 and 5-7) were isolated in 75%-81% yields. Reactions of Pd(OAc)(2) with guanidines 2-7 carried out separately in toluene at 60 degrees C for 3 h afforded 8-13 respectively in 69%-80% yields. Compounds 1-13 were characterized by elemental analyses, HR-MS, IR and NMR (H-1 and C-13) spectroscopy. Molecular structures of guanidines 1, 4, 5 and 6 and those of 8-13 were determined by single crystal X-ray diffraction. The Pd(II) atom in 8-10 revealed trans geometry while that in 11-13 revealed cis geometry. DFT calculations were carried out on model compounds 9a (trans) and its hypothetical cis isomer, 9b and 12a (cis) and its hypothetical trans isomer 12b which indicated a very small energy difference between the 9a/9b pair (1.28 kcal/mol) whereas a large energy difference was observed between the 12a/12b pair (26.38 kcal/mol) in CH2Cl2. The catalytic utility of 9 in Heck-Mizoroki coupling reactions involving styrene and methyl acrylate and aryl bromides/aryl chlorides in the presence of NaOAc and excess of tetrabutylammonium bromide (TBAB) at 120 degrees C was explored. Both activated and de-activated aryl bromides and aryl chlorides were coupled with styrene and in addition, the aryl chlorides were coupled with methyl acrylate in the presence of 9 to afford the respective coupling products in 68% – > 99% yields. Neat reaction carried out with 9 and TBAB under the optimized condition released the colloidal Pd black as verified by EDAX, PXRD and SEM techniques thereby implying the heterogeneous nature of catalysis. (c) 2019 Elsevier B. V. All rights reserved.
Safety of 1-Chloro-2-methylbenzene. Welcome to talk about 95-49-8, If you have any questions, you can contact Mishra, V; Thomas, JM; Chinnappan, S; Thirupathi, N or send Email.
Reference:
Patent; Nanjing Zhongteng Chemical Co., Ltd.; Zhong Hua; Lu Minshan; Chen Xiuzhen; Liu Qiaobao; Yin Hengbo; Wang Aili; (8 pag.)CN104876790; (2017); B;,
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