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【结 构 式】 
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【分子编号】20738 【品名】tert-butyl (2R)-2-([1-[([(3S)-1-[2-(tert-butoxy)-2-oxoethyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino)carbonyl]cyclopentyl]methyl)-4-phenylbutanoate 【CA登记号】 |
【 分 子 式 】C37H50N2O6 【 分 子 量 】618.81388 【元素组成】C 71.82% H 8.14% N 4.53% O 15.51% |
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：(III)1) The acylation of the chiral amine (I) with the chiral cyclopentanecarboxylic aid (II) by means of N-methylmorphline (NMM), hydroxybenzotriazole (HOBT) and N-(dimethylaminopropyl)-N'-ethylcarbodiimide (EDT) in dichloromethane gives the amide (III), which is then treated with trifluoroacetic acid to elimnate the tert-butyl ester groups.
| 【1】 Waldeck, H.; Höltje, D.; Messinger, J.; Antel, J.; Wurl, M.; Thormählen, D. (Kali-Chemie AG); Benzazepin-, benzoxazepin- and benzothiazepin-N-acetic acid-derivs., their preparation and their pharmaceutical compsns.. CA 2172354; EP 0733642; JP 1996269011; US 5677297 . |
| 【2】 Rozsa, S.; Gy Papp, J.; Thormahlen, D.; Waldeck, H. (Solvay SA); Drugs for increasing gastrointestinal blood supply. DE 19638020; EP 0830863; JP 1998101565 . |
| 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) | 20717 | tert-butyl 2-[(3S)-3-amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetate | C16H22N2O3 | 详情 | 详情 | |
| (II) | 20737 | 1-[(2R)-2-(tert-butoxycarbonyl)-4-phenylbutyl]cyclopentanecarboxylic acid | C21H30O4 | 详情 | 详情 | |
| (III) | 20738 | tert-butyl (2R)-2-([1-[([(3S)-1-[2-(tert-butoxy)-2-oxoethyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino)carbonyl]cyclopentyl]methyl)-4-phenylbutanoate | C37H50N2O6 | 详情 | 详情 |
Extended Information