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【结 构 式】

【分子编号】48918

【品名】2-(3,4-dimethoxyphenyl)-3-oxo-3-phenylpropanenitrile

【CA登记号】

【 分 子 式 】C17H15NO3

【 分 子 量 】281.31104

【元素组成】C 72.58% H 5.37% N 4.98% O 17.06%

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:(I)

Conversion of alpha-benzoyl-homoveratronitrile (I) into benzopyrylium perchlorate derivative (II) is performed by reaction with perchloric acid in acetic anhydride. The desired compound is then obtained by treatment of (II) with hydrazine hydrate in refluxing acetonitrile. Alternatively, the target product can be obtained as follows: Treatment of homoveratronitrile derivative (I) with hydrazine hydrate in refluxing acetic acid yields pyrazole (III), which is then acylated with acetyl chloride (IV) by means of Et3N in refluxing benzene to furnish acetylamino derivative (V). Finally, cyclization is induced by treatment of (V) with perchloric acid in refluxing acetic anhydride/nitromethane.

1 Nikolyukin, Y.A.; et al.; Synthesis of azolo(5,4-c) isoquinolines. Chem Heterocycl Compd 1990, 26, 914.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(I) 48918 2-(3,4-dimethoxyphenyl)-3-oxo-3-phenylpropanenitrile C17H15NO3 详情 详情
(II) 48919 4-cyano-6,7-dimethoxy-1-methyl-3-phenylisochromenium perchlorate C19H16ClNO7 详情 详情
(III) 48920 4-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrazol-5-amine; 4-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrazol-5-ylamine C17H17N3O2 详情 详情
(IV) 19273 acetyl chloride 75-36-5 C2H3ClO 详情 详情
(V) 48921 N-[4-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyrazol-5-yl]acetamide C19H19N3O3 详情 详情
Extended Information