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【结 构 式】 
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【分子编号】55972 【品名】methyl 3-((2R)-2-[(tert-butoxycarbonyl)amino]-3-{[(1R)-1-(tert-butoxycarbonyl)pentyl]amino}-3-oxopropyl)-1H-indole-1-carboxylate 【CA登记号】 |
【 分 子 式 】C28H41N3O7 【 分 子 量 】531.64956 【元素组成】C 63.26% H 7.77% N 7.9% O 21.07% |
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)The intermediate dipeptide ester (V) was prepared as follows. Coupling between D-norleucine tert-butyl ester (I) and N-Boc-D-tryptophan (II) by means of EDC and HOBt provided the protected dipeptide (III). Subsequent acylation of the indole N with methyl chloroformate under phase-transfer conditions yielded the N-(methoxycarbonyl)indole derivative (IV). The N-Boc protecting group was then selectively removed from (IV) by treatment with trifluoroacetic acid at 0 C.
| 【1】 Ishikawa, K.; Fukami, T.; Nagase, T.; Mase, T.; Ihara, M.; Yano, M.; Nishikibe, M. (Banyu Pharmaceutical Co., Ltd.); Endothelin antagonistic substance. EP 0555537; JP 1994107680 . |
| 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) | 55970 | tert-butyl (2R)-2-aminohexanoate | C10H21NO2 | 详情 | 详情 | |
| (II) | 48341 | (2R)-2-[(tert-butoxycarbonyl)amino]-3-(1H-indol-3-yl)propionic acid | C16H20N2O4 | 详情 | 详情 | |
| (III) | 55971 | tert-butyl (2R)-2-{[(2R)-2-[(tert-butoxycarbonyl)amino]-3-(1H-indol-3-yl)propanoyl]amino}hexanoate | C26H39N3O5 | 详情 | 详情 | |
| (IV) | 55972 | methyl 3-((2R)-2-[(tert-butoxycarbonyl)amino]-3-{[(1R)-1-(tert-butoxycarbonyl)pentyl]amino}-3-oxopropyl)-1H-indole-1-carboxylate | C28H41N3O7 | 详情 | 详情 | |
| (V) | 55973 | methyl 3-((2R)-2-amino-3-{[(1R)-1-(tert-butoxycarbonyl)pentyl]amino}-3-oxopropyl)-1H-indole-1-carboxylate | C23H33N3O5 | 详情 | 详情 |
Extended Information