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【结 构 式】 
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【分子编号】50655 【品名】1-(1-cyclopenten-1-yl)-4-(1H-indol-3-yl)-1-butanone 【CA登记号】 |
【 分 子 式 】C17H19NO 【 分 子 量 】253.344 【元素组成】C 80.6% H 7.56% N 5.53% O 6.32% |
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：(IV)3-Indolebutyric acid (I) was activated as the hydroxamate (II) by coupling with N,O-dimethylhydroxylamine in the presence of EDC and DMAP. Addition of cyclopentenylmagnesium bromide (III) to hydroxamate (II) furnished the unsaturated ketone (IV). Then, Michael addition of coenzyme A (V) to the unsaturated ketone (IV) in the presence of triethylammonium bicarbonate buffer provided the desired adduct.
| 【1】 Cole, P.A.; Kim, C.M.; Bisubstrate ketone analogues as serotonin N-acetyltransferase inhibitors. J Med Chem 2001, 44, 15, 2479. |
| 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) | 26532 | Indole-3-butyric acid; 4-(3-Indolyl)butyric acid; 4-(1H-Indol-3-yl)butyric acid | 133-32-4 | C12H13NO2 | 详情 | 详情 |
| (II) | 50653 | 4-(1H-indol-3-yl)-N-methoxy-N-methylbutanamide | C14H18N2O2 | 详情 | 详情 | |
| (III) | 50654 | bromo(1-cyclopenten-1-yl)magnesium | C5H7BrMg | 详情 | 详情 | |
| (IV) | 50655 | 1-(1-cyclopenten-1-yl)-4-(1H-indol-3-yl)-1-butanone | C17H19NO | 详情 | 详情 | |
| (V) | 50656 | C21H34N7O16P3S | 详情 | 详情 |
Extended Information