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【结 构 式】 
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【分子编号】62826 【品名】methyl (2S)-3-[1,1'-biphenyl]-4-yl-2-{[(1-{[(2R)-2-bromopentanoyl]amino}cyclopentyl)carbonyl]amino}propanoate 【CA登记号】 |
【 分 子 式 】C27H33BrN2O4 【 分 子 量 】529.4741 【元素组成】C 61.25% H 6.28% Br 15.09% N 5.29% O 12.09% |
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：(XI)Diazotization of (R)-2-aminopentanoic acid (IX) in the presence of HBr/KBr gives rise to the configuration-retained alpha-bromoacid (X). This is further coupled to the dipeptide ester (VIII) in the presence of EDC/HOAt to furnish the corresponding alpha-bromo amide (XI). Finally, displacement of the bromide group of (XI) with potassium thioacetate in DMF leads to the target thioacetate ester.
| 【1】 Fink, C.A.; De Lombaert, S.; Hoyer, D.W.; Jeng, A.Y.; Firoozina, F. (Novartis AG; Novartis Pharma GmbH); Certain thiol inhibitors of endothelin-converting enzyme. WO 9955726 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (VIII) | 62823 | methyl (2S)-2-{[(1-aminocyclopentyl)carbonyl]amino}-3-[1,1'-biphenyl]-4-ylpropanoate | C22H26N2O3 | 详情 | 详情 | |
| (IX) | 62824 | D-norvaline | C5H11NO2 | 详情 | 详情 | |
| (X) | 62825 | (2R)-2-bromopentanoic acid | C5H9BrO2 | 详情 | 详情 | |
| (XI) | 62826 | methyl (2S)-3-[1,1'-biphenyl]-4-yl-2-{[(1-{[(2R)-2-bromopentanoyl]amino}cyclopentyl)carbonyl]amino}propanoate | C27H33BrN2O4 | 详情 | 详情 |
Extended Information