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【结 构 式】 
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【分子编号】20565 【品名】3-[benzyl(methyl)amino]-2,2-dimethylpropyl (Z)-2-acetyl-3-(2-fluoro-5-nitrophenyl)-2-propenoate 【CA登记号】 |
【 分 子 式 】C24H27FN2O5 【 分 子 量 】442.4872632 【元素组成】C 65.15% H 6.15% F 4.29% N 6.33% O 18.08% |
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：(X)2) The condensation of acetoacetic ester (VI) with aldehyde (VII) gives the benzylidene derivative (X), which is then submitted to cyclization with crotonate (IX) as before. 3) Finally, the title product can also be obtained by cyclization of benzylidene derivative (X) with methyl acetoacetate (XI) and concentrated aqueous ammonia in refluxing isopropanol.
| 【1】 Yamaguchi, H.; Odamiya, Y.; Kanno, H.; Sunakawa, K. (Teijin Ltd.); 1,4-Dihydropyridine derivs., process for production thereof and pharmaceutical use thereof. EP 0128010; JP 1984222474; JP 1984227859; JP 1985104065; US 4578395 . |
| 【2】 Prous, J.; Castaner, J.; TC-81. Drugs Fut 1989, 14, 3, 239. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (VI) | 12112 | 3-[benzyl(methyl)amino]-2,2-dimethylpropyl 3-oxobutanoate | C17H25NO3 | 详情 | 详情 | |
| (VII) | 12108 | 2-Fluoro-5-nitrobenzaldehyde | 27996-87-8 | C7H4FNO3 | 详情 | 详情 |
| (IX) | 11372 | Methyl (E)-3-amino-2-butenoate; Methyl 3-aminocrotonate | C5H9NO2 | 详情 | 详情 | |
| (X) | 20565 | 3-[benzyl(methyl)amino]-2,2-dimethylpropyl (Z)-2-acetyl-3-(2-fluoro-5-nitrophenyl)-2-propenoate | C24H27FN2O5 | 详情 | 详情 | |
| (XI) | 11791 | methyl 3-oxobutanoate; Methyl acetoacetate | 105-45-3 | C5H8O3 | 详情 | 详情 |
Extended Information