|
【结 构 式】 
|
【分子编号】18744 【品名】4-isocyanato-2-(trifluoromethyl)benzonitrile 【CA登记号】 |
【 分 子 式 】C9H3F3N2O 【 分 子 量 】212.1309096 【元素组成】C 50.96% H 1.43% F 26.87% N 13.21% O 7.54% |
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：(II)The reaction of 4-cyano-3-(trifluoromethyl)aniline (I) with phosgene afforded isocyanate (II). Subsequent condensation with 2-amino-2-methylpropionitrile (III) in the presence of Et3N in dichloroethane yielded the iminoimidazolidinone (IV), which was hydrolyzed to hydantoin (V) with refluxing 0.5 M HCl. Finally, alkylation with bromoacetonitrile (VI) in the presence of NaH in DMF provided the cyanomethyl compound.
| 【1】 Battmann, T.; et al.; Pharmacological profile of RU 58642, a potent systemic antiandrogen for the treatment of androgen-dependent disorders. J Steroid Biochem Mol Biol 1998, 64, 1-2, 103. |
| 【2】 Gaillard-Kelly, M.; Goubet, F.; Philibert, D.; Teutsch, J.-G. (Aventis Pharma SA); Phenylimidazolidines, their process for fabrication, their application as medicaments and the pharmaceutical compsns. containing them. EP 0494819; FR 2671348; JP 1992308579; US 5411981 . |
| 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) | 18743 | 4-amino-2-(trifluoromethyl)benzonitrile；5-Amino-2-cyanobenzotrifluoride | 654-70-6 | C8H5F3N2 | 详情 | 详情 |
| (II) | 18744 | 4-isocyanato-2-(trifluoromethyl)benzonitrile | C9H3F3N2O | 详情 | 详情 | |
| (III) | 18745 | 2-amino-2-methylpropanenitrile | 19355-69-2 | C4H8N2 | 详情 | 详情 |
| (IV) | 18746 | 4-(5-imino-4,4-dimethyl-2-oxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile | C13H11F3N4O | 详情 | 详情 | |
| (V) | 18747 | 4-(4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile | C13H10F3N3O2 | 详情 | 详情 | |
| (VI) | 31883 | 2-bromoacetonitrile | 590-17-0 | C2H2BrN | 详情 | 详情 |
Extended Information