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【结 构 式】 
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【分子编号】48919 【品名】4-cyano-6,7-dimethoxy-1-methyl-3-phenylisochromenium perchlorate 【CA登记号】 |
【 分 子 式 】C19H16ClNO7 【 分 子 量 】405.79128 【元素组成】C 56.24% H 3.97% Cl 8.74% N 3.45% O 27.6% |
合成路线1
该中间体在本合成路线中的序号：(II)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 |