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【结 构 式】 
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【分子编号】52093 【品名】tert-butyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-(4-[[(trifluoromethyl)sulfonyl]oxy]phenyl)propanoate 【CA登记号】 |
【 分 子 式 】C19H26F3NO7S 【 分 子 量 】469.4791896 【元素组成】C 48.61% H 5.58% F 12.14% N 2.98% O 23.86% S 6.83% |
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：(II)N-Boc-L-tyrosine tert-butyl ester (I) was converted to the aryl triflate (II) by means of trifluoromethanesulfonic anhydride and pyridine. Palladium-catalyzed coupling of triflate (II) with 2,6-dimethoxyphenylboronic acid (III) furnished the biphenyl compound (IV). The N-Boc protecting group of (IV) was then selectively removed by treatment with sulfuric acid in tert-butyl acetate, yielding amino ester (V).
| 【1】 Yang, G.X.; Hagmann, W.K.; Doherty, G.; Chang, L.L.; Delaszlo, S.E. (Merck & Co., Inc.); Heterocycle amides as cell adhesion inhibitors. WO 0112183 . |
| 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) | 52092 | tert-butyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propanoate | C18H27NO5 | 详情 | 详情 | |
| (II) | 52093 | tert-butyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-(4-[[(trifluoromethyl)sulfonyl]oxy]phenyl)propanoate | C19H26F3NO7S | 详情 | 详情 | |
| (III) | 32549 | 2,6-dimethoxyphenylboronic acid | 23112-96-1 | C8H11BO4 | 详情 | 详情 |
| (IV) | 52094 | tert-butyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-(2',6'-dimethoxy[1,1'-biphenyl]-4-yl)propanoate | C26H35NO6 | 详情 | 详情 | |
| (V) | 52095 | tert-butyl (2S)-2-amino-3-(2',6'-dimethoxy[1,1'-biphenyl]-4-yl)propanoate | C21H27NO4 | 详情 | 详情 |
Extended Information