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【结 构 式】 
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【分子编号】62997 【品名】4-chlorobenzenolate 【CA登记号】 |
【 分 子 式 】C6H4ClO 【 分 子 量 】127.54986 【元素组成】C 56.5% H 3.16% Cl 27.8% O 12.54% |
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：1) Alkylation of diethyl malonate (II) with 1 6-dibromohexane (I) results in diethyl 6-bromohexylmaionate (III). Compound (II) is hydrolyzed to the monoester (IV), followed by condensation with paraformaldehyde in ethanol/piperidine/2-methylquinoline to yield ethyl 8-bromo-2-methyleneoctanoate (V), which is oxidized with permaleic acid to (VI). Subsequent reaction with 4-chlorophenolate produces etomoxir.
| 【1】 Eistetter, K.; Ludwig, G.; Rapp, E.; Wolf, H. (Byk Gulden Lomberg Chemische Fabrik GmbH); Phenoxyalkoxyalkyl- and phenoxyalkyl-substd. oxiranecarboxylic acids, their use and medicaments containing them. EP 0046590; US 4337267 . |
| 【2】 Eistetter, K.; Wolf, H.P.O.; ETOMOXIR. Drugs Fut 1986, 11, 12, 1034. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| 62997 | 4-chlorobenzenolate | C6H4ClO | 详情 | 详情 | ||
| (I) | 24786 | 1,6-dibromohexane | 629-03-8 | C6H12Br2 | 详情 | 详情 |
| (II) | 16829 | Diethyl malonate | 105-53-3 | C7H12O4 | 详情 | 详情 |
| (III) | 24864 | diethyl 2-(6-bromohexyl)malonate | C13H23BrO4 | 详情 | 详情 | |
| (IV) | 24865 | 8-bromo-2-(ethoxycarbonyl)octanoic acid | C11H19BrO4 | 详情 | 详情 | |
| (V) | 24866 | ethyl 2-(6-bromohexyl)acrylate | C11H19BrO2 | 详情 | 详情 | |
| (VI) | 24867 | ethyl 2-(6-bromohexyl)-2-oxiranecarboxylate | C11H19BrO3 | 详情 | 详情 |
Extended Information