CAS 873-74-5

4-aminobenzonitrile

登记编号：RILP-028、DABI-014、ETRA-002

应用背景（按来源药适应症）

HIV感染盐酸利匹韦林肝功能衰退盐酸利匹韦林获得性免疫缺损综合征盐酸利匹韦林避孕行为盐酸利匹韦林静脉血栓栓塞达比加群酯甲磺酸盐栓塞达比加群酯甲磺酸盐中风达比加群酯甲磺酸盐缺血性卒中达比加群酯甲磺酸盐肺栓塞达比加群酯甲磺酸盐静脉血栓形成达比加群酯甲磺酸盐HIV感染依曲韦林弗里德赖希共济失调依曲韦林炎性疾病依曲韦林胰岛素抵抗依曲韦林

来源药（使用该中间体的合成路线）

品种	梯队	到期年
盐酸利匹韦林Rilpivirine Hydrochloride	Tier B · 提前布局	-
达比加群酯甲磺酸盐Dabigatran Etexilate Mesylate	Tier B · 提前布局	-
依曲韦林Etravirine	Tier C · 观察 / 贸易	-

合成路线中的位置（上下游链）

按路线登记顺序排列，左→右为合成方向；高亮为当前 CAS，其余可点击跳转对应档案。

盐酸利匹韦林优化路线步数：3总收率：/

(E)-3-(4-amino-3,5-dimethylphenyl)acrylonitrile hydrochloride→2,4-dichloropyrimidine→(E)-3-(4-((2-chloropyrimidin-4-yl)amino)-3,5-dimethylphenyl)acrylonitrile→4-aminobenzonitrile

达比加群酯甲磺酸盐优化路线步数：7总收率：42 g

ethyl 3-(3-amino-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate→hexyl carbonochloridate→4-aminobenzonitrile→(Z)-4-amino-N'-hydroxybenzimidamide→3-(4-aminophenyl)-1,2,4-oxadiazol-5(4H)-one→ethyl 2-bromoacetate→ethyl (4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)glycinate→(4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)glycine→ethyl 3-(1-methyl-2-(((4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)amino)methyl)-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate→ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate

依曲韦林原研路线步数：3总收率：0.44 g

5-bromo-2,4,6-trichloropyrimidine→4-aminobenzonitrile→4-((5-bromo-4,6-dichloropyrimidin-2-yl)amino)benzonitrile→4-hydroxy-3,5-dimethylbenzonitrile→4-((5-bromo-6-chloro-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile

依曲韦林优化路线步数：6总收率：5.2 g

4-aminobenzonitrile→4-((5-bromo-4,6-dichloropyrimidin-2-yl)amino)benzonitrile→4-((5-bromo-6-chloro-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile→1-(4-cyanophenyl)guanidine hydrochloride→diethyl malonate→4-((4,6-dihydroxypyrimidin-2-yl)amino)benzonitrile→4-((4,6-dichloropyrimidin-2-yl)amino)benzonitrile→sodium 4-cyano-2,6-dimethylphenolate

依曲韦林工艺路线步数：4总收率：836 g

4-aminobenzonitrile→4-hydroxy-3,5-dimethylbenzonitrile→2,4,6-trichloropyrimidine→4-((2,6-dichloropyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile→4-((6-chloro-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile→4-((6-amino-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile

依曲韦林优化路线步数：3总收率：379 mg

4-aminobenzonitrile→4-hydroxy-3,5-dimethylbenzonitrile→2,6-dichloropyrimidin-4-amine→5-bromo-2,6-dichloropyrimidin-4-amine→4-((6-amino-5-bromo-2-chloropyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile

依曲韦林优化路线步数：3总收率：442 mg

4-aminobenzonitrile→4-hydroxy-3,5-dimethylbenzonitrile→4-((4-amino-6-chloropyrimidin-2-yl)amino)benzonitrile→2,6-dichloropyrimidin-4-amine→4-((4-amino-5-bromo-6-chloropyrimidin-2-yl)amino)benzonitrile

本站可供应的对应中间体

同 CAS 多家在售供应横向对比；价格区间为供应方挂牌口径，实价以询价确认为准。

供应商	产品	价格区间	最小起订	货期	资质
Qualified Partner — East China API Works	Dabigatran etexilate mesylate Pharmaceutical Intermediates	询价	询价	询价	—
Unibest Nantong cGMP Site	ethyl N-[3-amino-4-(methylamino)benzoyl]-N-pyridin-2-yl-beta-alaninate Pharmaceutical Intermediates	询价	询价	询价	—
Unibest Taizhou GMP-like Site	N-(4-cyanophenyl)-Glycine Pharmaceutical Intermediates	询价	询价	询价	—

本页为中间体 CAS 注册档案：同 CAS 的多条路线登记已合并；后续供应商报价与买方需求以该 CAS 为主键撮合。