CAS 873-74-5

4-aminobenzonitrile

Codes：RILP-028、DABI-014、ETRA-002

Application context (from source-drug indications)

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

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
盐酸利匹韦林Rilpivirine Hydrochloride	Tier B — Position early	-
达比加群酯甲磺酸盐Dabigatran Etexilate Mesylate	Tier B — Position early	-
依曲韦林Etravirine	Tier C — Watch / trade	-

Position in synthesis routes (up/downstream chain)

Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.

盐酸利匹韦林优化路线steps: 3total yield: /

(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steps: 7total yield: 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steps: 3total yield: 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steps: 6total yield: 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steps: 4total yield: 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steps: 3total yield: 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steps: 3total yield: 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

Intermediates available on this site

Side-by-side comparison of all listed offers on this CAS; price bands are list-price ranges, final price subject to RFQ confirmation.

Supplier	Product	Price band	MOQ	Lead time	Qualifications
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	—

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