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【结 构 式】 
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【分子编号】43747 【品名】4-[(2S)-2-amino-3-(octylamino)-3-oxopropyl]phenyl 2-bromobenzyl carbonate 【CA登记号】 |
【 分 子 式 】C25H33BrN2O4 【 分 子 量 】505.4521 【元素组成】C 59.41% H 6.58% Br 15.81% N 5.54% O 12.66% |
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)Activation of O-(2-bromobenzyloxycarbonyl)-N-Boc-L-tyrosine (I) as the mixed anhydride (II) with isobutyl chloroformate, followed by coupling with n-octylamine (III), furnished amide (IV). The Boc protecting group of (IV) was then removed by treatment with HCl in dioxan to give amine (V). After activation of trans-4-(aminomethyl)cyclohexanecarboxylic acid (VI) as the mixed anhydride (VII), its coupling with amine (V) provided adduct (VIII). Finally, the cleavage of the Boc protecting group of (VIII) by means of HCl in dioxan yielded the title compound.
| 【1】 Hujikata-Okunomiya, A.; Okamoto, S.; Okada, Y.; Matsumoto, Y.; Tada, M.; Tsuda, Y; Wanaka, K.; Development of plasmin selective inhibitors and studies of their structure-activity relationship. Chem Pharm Bull 2000, 48, 2, 184. |
| 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) | 43744 | (2S)-3-[4-([[(2-bromobenzyl)oxy]carbonyl]oxy)phenyl]-2-[(tert-butoxycarbonyl)amino]propionic acid | 47689-67-8 | C22H24BrNO7 | 详情 | 详情 |
| (II) | 43745 | C27H32BrNO9 | 详情 | 详情 | ||
| (III) | 27374 | 1-octanamine | 111-86-4 | C8H19N | 详情 | 详情 |
| (IV) | 43746 | 2-bromobenzyl 4-[(2S)-2-[(tert-butoxycarbonyl)amino]-3-(octylamino)-3-oxopropyl]phenyl carbonate | C30H41BrN2O6 | 详情 | 详情 | |
| (V) | 43747 | 4-[(2S)-2-amino-3-(octylamino)-3-oxopropyl]phenyl 2-bromobenzyl carbonate | C25H33BrN2O4 | 详情 | 详情 | |
| (VI) | 23346 | 4-[[(tert-butoxycarbonyl)amino]methyl]cyclohexanecarboxylic acid | C13H23NO4 | 详情 | 详情 | |
| (VII) | 43748 | C18H31NO6 | 详情 | 详情 | ||
| (VIII) | 43749 | 2-bromobenzyl 4-[(2S)-2-[[(4-[[(tert-butoxycarbonyl)amino]methyl]cyclohexyl)carbonyl]amino]-3-(octylamino)-3-oxopropyl]phenyl carbonate | C38H54BrN3O7 | 详情 | 详情 |
Extended Information