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【结 构 式】 
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【药物名称】94-245 【化学名称】2-Cyano-3-[4-(ethoxycarbonylmethoxy)-3-methoxyphenyl]-2(Z)-propenoic acid ethyl ester 【CA登记号】151474-34-9 (undefined isomer) 【 分 子 式 】C17H19NO6 【 分 子 量 】333.34408 |
【开发单位】Central Drug Research Institute (Originator) 【药理作用】ANTIINFECTIVE THERAPY, Antileishmanials, Treatment of Protozoal Diseases |
合成路线1
The condensation of 4-hydroxy-3-methoxybenzaldehyde (I) with ethyl cyanoacetate (II) by means of NaOH in ethanol gives the 2-cyanopropenoate (III), which is then alkylated at the OH group with ethyl 2-bromoacetate (IV) by means of K2CO3 and tetrabutylammonium bromide in THF.
| 【1】 Tiwari, S.; et al.; Synthesis and antileishmanial activity of alpha-cyano ethyl propenoates - A new class of antileishmanials. Arzneim-Forsch Drug Res 1999, 49, 2, 144. |
| 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) | 22701 | 4-hydroxy-3-methoxybenzaldehyde | 121-33-5 | C8H8O3 | 详情 | 详情 |
| (II) | 11877 | Cyanoacetic acid ethyl ester; Ethyl 2-cyanoacetate; Ethyl cyanoacetate; Ethyl isocyanacetate | 105-56-6 | C5H7NO2 | 详情 | 详情 |
| (III) | 30896 | ethyl (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate | C13H13NO4 | 详情 | 详情 | |
| (IV) | 16640 | Ethyl 2-bromoacetate; Ethyl bromoacetate | 105-36-2 | C4H7BrO2 | 详情 | 详情 |
Extended Information