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【结 构 式】

【分子编号】55816

【品名】2-[(4-ethylphenoxy)methyl]benzoyl chloride

【CA登记号】

【 分 子 式 】C16H15ClO2

【 分 子 量 】274.7466

【元素组成】C 69.95% H 5.5% Cl 12.9% O 11.65%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号:(XVI)

Radical bromination of methyl ortho-toluate (XI) with N-bromosuccinimide in the presence of benzoyl peroxide affords the 2-(bromomethyl)benzoate (XII). This is then condensed with 4-ethylphenol (XIII) to furnish ether (XIV). Alkaline hydrolysis of the methyl ester group of (XIV) provides acid (XV), which is further activated as the corresponding acid chloride (XVI) with oxalyl chloride in chloroform. Finally, condensation of acid chloride (XVI) with the diaminoquinoline (VII) gives rise to the title compound.

1 Kitao, Y.; Shinkai, H.; Ito, T.; Uchida, I.; Yamada, H.; Iida, T.; 4-Aminoquinolones: Novel nociceptin antagonists with analgesics activity. J Med Chem 2000, 43, 24, 4667.
2 Shinkai, H.; Yamada, H.; to, T. (Japan Tobacco Inc.); Amide derivs. and nociceptin antagonists. EP 1072263; JP 1999335355; WO 9948492 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(VII) 49031 4-amino-2-methyl-6-quinolinylamine; 2-methyl-4,6-quinolinediamine C10H11N3 详情 详情
(XI) 49024 2-Methyl Methylbenzoate; 2-Methylbenzoic acid methyl ester; Methyl o-toluate; o-Toluic acid methyl ester 89-71-4 C9H10O2 详情 详情
(XII) 28575 methyl 2-(bromomethyl)benzoate C9H9BrO2 详情 详情
(XIII) 49025 p-Ethylphenol; 4-Ethylphenol 123-07-9 C8H10O 详情 详情
(XIV) 49026 methyl 2-[(4-ethylphenoxy)methyl]benzoate C17H18O3 详情 详情
(XV) 49027 2-[(4-ethylphenoxy)methyl]benzoic acid C16H16O3 详情 详情
(XVI) 55816 2-[(4-ethylphenoxy)methyl]benzoyl chloride C16H15ClO2 详情 详情
Extended Information