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【结 构 式】

【分子编号】50006

【品名】2,2,2-trifluoro-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]acetamide

【CA登记号】

【 分 子 式 】C11H6F9NO2

【 分 子 量 】355.1598088

【元素组成】C 37.2% H 1.7% F 48.14% N 3.94% O 9.01%

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:(V)

Treatment of aniline (I) with hexafluoroacetone trihydrate (II) and p-toluenesulfonic acid affords derivative (III), which is then derivatized with trifluoroacetic anhydride (IV) to provide trifluoroacetanilide derivative (V). Reduction of (V) by means of LiAlH4 in refluxing THF yields N-trifluoroethylaniline derivative (VI), which is finally converted into the target sulfonamide by reaction with benzenesulfonyl chloride (VII) in pyridine.

1 Shan, B. (Tularik Inc.); Compsns. and methods for raising HDL cholesterol levels. WO 0103705 .
2 Liu, J.; Li, L.; Cutler, S.T.; Zhu, L.; Shan, B.; Medina, J.C.; Hasegawa, H.; Lustig, K. (Tularik Inc.); LXR modulators. EP 1161233; WO 0054759 .
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) 12294 Aniline; Phenylamine 62-53-3 C6H7N 详情 详情
(II) 44260 1,1,1,3,3,3-hexafluoroacetone 684-16-2 C3F6O 详情 详情
(III) 50005 2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol; 4-(Hexafluoro-2-hydroxyisopropyl)aniline 722-92-9 C9H7F6NO 详情 详情
(IV) 33862 trifluoroacetic anhydride 407-25-0 C4F6O3 详情 详情
(V) 50006 2,2,2-trifluoro-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]acetamide C11H6F9NO2 详情 详情
(VI) 50007 1,1,1,3,3,3-hexafluoro-2-[4-[(2,2,2-trifluoroethyl)amino]phenyl]-2-propanol C11H8F9NO 详情 详情
(VII) 14713 benzenesulfonyl chloride 98-09-9 C6H5ClO2S 详情 详情
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