CAS 873-74-5

4-aminobenzonitrile

Codes: RILP-028, DABI-014, ETRA-002

Application context (from source-drug indications)

HIV infectionRilpivirine HydrochlorideHepatic function declineRilpivirine HydrochlorideAcquired immunodeficiency syndromeRilpivirine HydrochlorideContraceptive useRilpivirine HydrochlorideVenous thromboembolismDabigatran Etexilate MesylateEmbolismDabigatran Etexilate MesylateStrokeDabigatran Etexilate MesylateIschaemic strokeDabigatran Etexilate MesylatePulmonary embolismDabigatran Etexilate MesylateVenous thrombosisDabigatran Etexilate MesylateHIV infectionEtravirineFriedreich's ataxiaEtravirineInflammatory diseaseEtravirineInsulin resistanceEtravirine

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Rilpivirine Hydrochloride	Tier B — Position early	-
Dabigatran Etexilate Mesylate	Tier B — Position early	-
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.

Rilpivirine HydrochlorideOptimised routesteps: 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

Dabigatran Etexilate MesylateOptimised routesteps: 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

EtravirineOriginator routesteps: 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

EtravirineOptimised routesteps: 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

EtravirineProcess routesteps: 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

EtravirineOptimised routesteps: 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

EtravirineOptimised routesteps: 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	On request	On request	On request	—
Unibest Nantong cGMP Site	ethyl N-[3-amino-4-(methylamino)benzoyl]-N-pyridin-2-yl-beta-alaninate Pharmaceutical Intermediates	On request	On request	On request	—
Unibest Taizhou GMP-like Site	N-(4-cyanophenyl)-Glycine Pharmaceutical Intermediates	On request	On request	On request	—

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