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【结 构 式】 
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【分子编号】31098 【品名】5-isopropyl 3-methyl 2-formyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate 【CA登记号】 |
【 分 子 式 】C19H20N2O7 【 分 子 量 】388.37708 【元素组成】C 58.76% H 5.19% N 7.21% O 28.84% |
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：(VI)The condensation of isopropyl acetoacetate (I) with 3-nitrobenzaldehyde (II) gives isopropyl 2-(3-nitrobenzylidene)acetoacetate (III), which is cyclized with methyl 3-amino-4,4-dimethoxycrotonate (IV) at 100 C yielding 5-isopropyl-3-methyl-2-(dimethoxymethyl)-6-methyl-4-(3-nitropheny)-1,4-dihydropyridine-3,5-dicarboxylate (V). The hydrolysis of the acetal group of (V) with HCl in acetone affords the corresponding 2-formyl derivative (VI), which is finally treated with hydroxylamine and acetic anhydride in acetic acid at 100 C.
| 【1】 Satu, Y. (Fujisawa Pharmaceutical Co., Ltd.); 1,4-Dihydropyridine derivatives and pharmaceutical method of the same. BE 0879263; DE 2940833; FR 2438654; GB 2036722; US 4284634; US 4338322 . |
| 【2】 Blancafort, P.; Castaner, J.; Serradell, M.N.; FR-34,235. Drugs Fut 1983, 8, 9, 776. |
| 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) | 13332 | isopropyl 3-oxobutanoate; Isopropyl acetoacetate | 542-08-5 | C7H12O3 | 详情 | 详情 |
| (II) | 12646 | 3-Nitrobenzaldehyde | 99-61-6 | C7H5NO3 | 详情 | 详情 |
| (III) | 12595 | isopropyl (Z)-2-acetyl-3-(3-nitrophenyl)-2-propenoate | C14H15NO5 | 详情 | 详情 | |
| (IV) | 31096 | methyl (E)-3-amino-4,4-dimethoxy-2-butenoate | C7H13NO4 | 详情 | 详情 | |
| (V) | 31097 | 5-isopropyl 3-methyl 2-(dimethoxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate | C21H26N2O8 | 详情 | 详情 | |
| (VI) | 31098 | 5-isopropyl 3-methyl 2-formyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate | C19H20N2O7 | 详情 | 详情 |
Extended Information