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【结 构 式】 
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【分子编号】29288 【品名】tert-butyl 4-[([4-[5-(3,4-difluorobenzyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonyl)amino]phenethyl[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]carbamate 【CA登记号】 |
【 分 子 式 】C35H35F2N5O6S 【 分 子 量 】691.7558064 【元素组成】C 60.77% H 5.1% F 5.49% N 10.12% O 13.88% S 4.64% |
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：(VI)Condensation of the protected aniline derivative (I) with 4-cyanobenzenesulfonyl chloride (II) in the presence of pyridine afforded sulfonamide (III). Subsequent reaction of he nitrile group of (III) with hydroxylamine provided the corresponding amidoxime (IV), which was reacted with 3,4-difluorophenylacetic acid (V) and EDC to produce the oxadiazole (VI). Finally, the Boc protecting group of (VI) was removed by treatment with trifluoroacetic acid.
| 【1】 Biftu, T.; Feng, D.D.; Fisher, M.H.; Kuo, C.-H.; Liang, G.-B.; Weber, A.E.; Naylor, E.M. (Merck & Co., Inc.); Oxadiazole benzenesulfonamides as selective beta3 agonists for the treatment of diabetes and obesity. EP 0906310; US 6034106; WO 9746556 . |
| 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) | 26553 | tert-butyl 4-aminophenethyl[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]carbamate | C20H27N3O3 | 详情 | 详情 | |
| (II) | 29284 | 4-cyanobenzenesulfonyl chloride | 49584-26-1 | C7H4ClNO2S | 详情 | 详情 |
| (III) | 29285 | tert-butyl 4-[[(4-cyanophenyl)sulfonyl]amino]phenethyl[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]carbamate | C27H30N4O5S | 详情 | 详情 | |
| (IV) | 29286 | tert-butyl 4-[([4-[amino(hydroxyimino)methyl]phenyl]sulfonyl)amino]phenethyl[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]carbamate | C27H33N5O6S | 详情 | 详情 | |
| (V) | 29287 | 2-(3,4-difluorophenyl)acetic acid | 658-93-5 | C8H6F2O2 | 详情 | 详情 |
| (VI) | 29288 | tert-butyl 4-[([4-[5-(3,4-difluorobenzyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonyl)amino]phenethyl[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]carbamate | C35H35F2N5O6S | 详情 | 详情 |
Extended Information