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【结 构 式】 
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【分子编号】50379 【品名】1-[([[[4-([[((2S)-1-[(2R)-2-[(tert-butoxycarbonyl)amino]-2-cyclohexylethanoyl]azetidinyl)carbonyl]amino]methyl)phenyl](imino)methyl]amino]carbonyl)oxy]ethyl acetate 【CA登记号】 |
【 分 子 式 】C30H43N5O8 【 分 子 量 】601.70032 【元素组成】C 59.89% H 7.2% N 11.64% O 21.27% |
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)Alternatively, the conversion of compound (VII) into bosentan can also be performed by reaction of compound (VII) with ethylene glycol mono tert-butyl ether (IX) by means of NaOH in toluene, yielding the tert-butyl ether derivative (X), which is then treated with formic acid at 85-90 C in toluene to give the 2-(formyloxy)ethoxy derivative (XI). Finally, the formyl group is removed by treatment of (XI) with NaOH in H2O.
| 【1】 Bayes, M.; Silvestre, J.S.; Sorbera, L.A.; Castaner, J.; Melagatran and Ximelagatran. Drugs Fut 2001, 26, 12, 1155. |
| 【2】 Antonsson, T.; Gustafsson, D.; Hoffmann, K.-J.; Nystrom, J.-E.; Sorensen, H.; Sellen, M. (AstraZeneca plc); Prodrugs of thrombin inhibitors. EP 0995755; JP 2000504313; JP 2001089498; US 5965692; US 6262028; WO 9723499 . |
| 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) | 50376 | benzyl [4-([[((2S)-1-[(2R)-2-[(tert-butoxycarbonyl)amino]-2-cyclohexylethanoyl]azetidinyl)carbonyl]amino]methyl)phenyl](imino)methylcarbamate | C33H43N5O6 | 详情 | 详情 | |
| (II) | 50377 | tert-butyl (1R)-2-[(2S)-2-[([4-[amino(imino)methyl]benzyl]amino)carbonyl]azetidinyl]-1-cyclohexyl-2-oxoethylcarbamate | C25H37N5O4 | 详情 | 详情 | |
| (III) | 50378 | 1-[[(4-nitrophenoxy)carbonyl]oxy]ethyl acetate | C11H11NO7 | 详情 | 详情 | |
| (IV) | 50379 | 1-[([[[4-([[((2S)-1-[(2R)-2-[(tert-butoxycarbonyl)amino]-2-cyclohexylethanoyl]azetidinyl)carbonyl]amino]methyl)phenyl](imino)methyl]amino]carbonyl)oxy]ethyl acetate | C30H43N5O8 | 详情 | 详情 | |
| (V) | 50380 | 1-[([[(4-[[([(2S)-1-[(2R)-2-amino-2-cyclohexylethanoyl]azetidinyl]carbonyl)amino]methyl]phenyl)(imino)methyl]amino]carbonyl)oxy]ethyl acetate | C25H35N5O6 | 详情 | 详情 | |
| (VI) | 50381 | ethyl 2-[[(trifluoromethyl)sulfonyl]oxy]acetate | C5H7F3O5S | 详情 | 详情 | |
| (VII) | 50382 | ethyl 2-[((1R)-2-[(2S)-2-[([4-[([[1-(acetoxy)ethoxy]carbonyl]amino)(imino)methyl]benzyl]amino)carbonyl]azetidinyl]-1-cyclohexyl-2-oxoethyl)amino]acetate | C29H41N5O8 | 详情 | 详情 |
Extended Information