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【结 构 式】

【分子编号】28214

【品名】4-isocyanato-1-nitro-2-(trifluoromethyl)benzene

【CA登记号】

【 分 子 式 】C8H3F3N2O3

【 分 子 量 】232.1187096

【元素组成】C 41.4% H 1.3% F 24.55% N 12.07% O 20.68%

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:(I)

3-Trifluoromethyl-4-nitrophenylisocyanate (I) and 2-amino-2-cyanopropane (II) are condensed. After concentration by distillation under reduced pressure and chromatography of the residue on silica gel (elution with dichloromethane: acetone, 8:2 v/v), the intermediate 1-(3'-trifluoromethyl-4'-nitrophenyl)-4,4-dimethyl-5-imino-2-imidazolidinone) (III) is obtained. This intermediate, in suspension in aqueous hydrochloric acid, is heated, then cooled and poured into water. The precipitate, filtered, washed and dried, is anandron (RU-23908), which can be recrystallized in an ethanolic medium.

1 Perronet, J.; Girault, P.; Bonne, C. (Aventis Pharma SA); 1-(3-(4-O-Trifluoromethyl-4-(4-O-nitrophenyl)-4,4-dimethyl)imidazolidines. DE 2649925; ES 452746; FR 2329276; FR 7533084; GB 1518444; JP 52057176; US 4097578 .
2 Ojasoo, T.; Nilutamide. Drugs Fut 1987, 12, 8, 763.
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) 28214 4-isocyanato-1-nitro-2-(trifluoromethyl)benzene C8H3F3N2O3 详情 详情
(II) 18745 2-amino-2-methylpropanenitrile 19355-69-2 C4H8N2 详情 详情
(III) 28215 5-imino-4,4-dimethyl-1-[4-nitro-3-(trifluoromethyl)phenyl]-2-imidazolidinone C12H11F3N4O3 详情 详情
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