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【结 构 式】 
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【分子编号】52314 【品名】4-bromobutyl 2-(acetylamino)-3-({2-[4-(2-methylpropyl)phenyl]propanoyl}sulfanyl)propanoate 【CA登记号】 |
【 分 子 式 】C22H32BrNO4S 【 分 子 量 】486.47042 【元素组成】C 54.32% H 6.63% Br 16.43% N 2.88% O 13.16% S 6.59% |
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)Coupling of ibuprofen (I) with N-acetylcysteine (II) via activation with carbonyl diimidazole produced the thioester adduct (III). Reaction of the free carboxyl group of (III) with tetrahydrofuran in the presence of triphenylphosphine and carbon tetrabromide gave rise to the bromobutyl ester (IV). The bromide group of (IV) was finally displaced with silver nitrate to produce the title nitrate ester.
| 【1】 Del Soldato, P. (NicOx SA); Pharmaceutical cpds.. EP 1169294; WO 0061537 . |
| 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) | 52312 | 2-(4-Isobutylphenyl)propionic acid; Ibuprofen | 15687-27-1 | C13H18O2 | 详情 | 详情 |
| (II) | 39365 | (2S)-2-(acetamido)-3-sulfanylpropionic acid | 616-91-1 | C5H9NO3S | 详情 | 详情 |
| (III) | 52313 | N-acetyl{2-[4-(2-methylpropyl)phenyl]propanoyl}cysteine | C18H25NO4S | 详情 | 详情 | |
| (IV) | 52314 | 4-bromobutyl 2-(acetylamino)-3-({2-[4-(2-methylpropyl)phenyl]propanoyl}sulfanyl)propanoate | C22H32BrNO4S | 详情 | 详情 |
Extended Information