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【结 构 式】 
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【分子编号】57433 【品名】3-ethylpentanoic acid 【CA登记号】 |
【 分 子 式 】C7H14O2 【 分 子 量 】130.18696 【元素组成】C 64.58% H 10.84% O 24.58% |
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：(V)The Wadsworth-Emmons condensation of 3-pentanone (I) with phosphonate (II) affords the conjugated ester adduct (III). Subsequent double bond hydrogenation in (III), in the presence of Pd/C, leads to the saturated ester (IV). After basic hydrolysis of the ethyl ester group of (IV), the resultant carboxylic acid (V) is activated as the corresponding acid chloride (VI) upon treatment with SOCl2. Then, acylation of the silver acetylide of methyl propiolate (VII) with acid chloride (VI) gives rise to the oxo ester intermediate (VIII).
| 【1】 Mori, S.; Takechi, S.; Kida, S.; Mizui, T.; Ichihashi, T. (Shionogi & Co. Ltd.); Lignan analog, production thereof, and hypolipidemic drug. EP 0597107; EP 0701991; JP 1993310634; US 5731455; WO 9308155 . |
| 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) | 32415 | Propione; Dimethylacetone; Diethyl ketone; 3-Pentanone | 96-22-0 | C5H10O | 详情 | 详情 |
| (II) | 10019 | Ethyl 2-(diethoxyphosphoryl)acetate; Triethyl phosphonoacetate | 867-13-0 | C8H17O5P | 详情 | 详情 |
| (III) | 57428 | ethyl 3-ethyl-2-pentenoate | C9H16O2 | 详情 | 详情 | |
| (IV) | 57429 | ethyl 3-ethylpentanoate | C9H18O2 | 详情 | 详情 | |
| (V) | 57433 | 3-ethylpentanoic acid | C7H14O2 | 详情 | 详情 | |
| (VI) | 57430 | 3-ethylpentanoyl chloride | C7H13ClO | 详情 | 详情 | |
| (VII) | 57431 | (3-methoxy-3-oxo-1-propynyl)silver | C4H3AgO2 | 详情 | 详情 | |
| (VIII) | 57432 | methyl 6-ethyl-4-oxo-2-octynoate | C11H16O3 | 详情 | 详情 |
Extended Information