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【结 构 式】 
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【分子编号】64369 【品名】tert-butyl [(tert-butoxycarbonyl)amino]{[(trifluoromethyl)sulfonyl]imino}methylcarbamate 【CA登记号】 |
【 分 子 式 】C12H20F3N3O6S 【 分 子 量 】391.3686296 【元素组成】C 36.83% H 5.15% F 14.56% N 10.74% O 24.53% S 8.19% |
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)4-Nitrobenzylamine (I) is protected as the corresponding trifluoroacetamide (II) and subsequently reduced to aniline (III) by catalytic hydrogenation over Pd/C. Condensation of (III) with N,N'-di-Boc-N''-(trifluoromethanesulfonyl)guanidine (IV) furnishes the Boc-protected guanidine (V). The trifluoroacetamide function of (V) is then hydrolyzed by means of K2CO3 in aqueous MeOH to provide amine (VI). (1,2)
| 【1】 Tamiz, A.P.; Weinhouse, M.I.; Ahn, J.S.; Alfaro-Lopez, J.; Gaudette, J.; Meneses, J.K.; Roberts, C.; Madison, E.L.; Semple, J.E.; Levy, O.E..; Synthesis and biological activity of non-transition state urokinase inhibitors. 28th Natl Med Chem Symp (June 8 2002, San Diego) 2002, Abst 59. |
| 【2】 Semple, J.E.; Levy, O.E.; Tamiz, A.P.; Madison, E.L.; Weinhouse, M.I. (Corvas International, Inc.); Non-covalent inhibitors of urokinase and blood vessel formation. EP 1182207; WO 0214349 . |
| 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) | 31562 | (4-nitrophenyl)methanamine; 4-nitrobenzylamine | C7H8N2O2 | 详情 | 详情 | |
| (II) | 64367 | 2,2,2-trifluoro-N-(4-nitrobenzyl)acetamide | C9H7F3N2O3 | 详情 | 详情 | |
| (III) | 64368 | N-(4-aminobenzyl)-2,2,2-trifluoroacetamide | C9H9F3N2O | 详情 | 详情 | |
| (IV) | 64369 | tert-butyl [(tert-butoxycarbonyl)amino]{[(trifluoromethyl)sulfonyl]imino}methylcarbamate | C12H20F3N3O6S | 详情 | 详情 | |
| (V) | 64370 | tert-butyl [(tert-butoxycarbonyl)amino][(4-{[(2,2,2-trifluoroacetyl)amino]methyl}phenyl)imino]methylcarbamate | C20H27F3N4O5 | 详情 | 详情 | |
| (VI) | 64374 | tert-butyl {[4-(aminomethyl)phenyl]imino}[(tert-butoxycarbonyl)amino]methylcarbamate | C18H28N4O4 | 详情 | 详情 |
Extended Information