methyl 4-cyanobenzoate (1129-35-7) intermediate

Application context (from source-drug indications)

Venous thromboembolismBetrixabanHepatic function declineBetrixabanAtrial fibrillationBetrixabanAtrial flutterBetrixabanRenal impairmentBetrixabanThromboembolismBetrixabanHIV infectionAtazanavir Sulfate/CobicistatHIV infectionAtazanavir SulfateAcquired immunodeficiency syndromeAtazanavir SulfateMycobacterium tuberculosis infectionAtazanavir SulfateType 1 diabetesAtazanavir Sulfate肠道疾病Tranexamic acid (Leading BioSciences)术后黏连Tranexamic acid (Leading BioSciences)Intestinal obstructionTranexamic acid (Leading BioSciences)胃肠疾病Tranexamic acid (Leading BioSciences)COVID-19Tranexamic acid (Leading BioSciences)感染性休克Tranexamic acid (Leading BioSciences)

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Betrixaban	Tier C — Watch / trade	2028
Atazanavir Sulfate/Cobicistat	Tier C — Watch / trade	-
Atazanavir Sulfate	Tier B — Position early	-
Tranexamic acid (Leading BioSciences)	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.

BetrixabanOptimised routesteps: 4total yield: /

6-chloro-N-neopentylnicotinamide→4-cyanobenzoic acid→methyl 4-cyanobenzoate→methyl 4-(N,N-dimethylcarbamimidoyl)benzoate→4-(N,N-dimethylcarbamimidoyl)benzoic acid hydrochloride

Atazanavir Sulfate/CobicistatOptimised routesteps: 8total yield: /

tert-butyl hydrazinecarboxylate→tert-butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazine-1-carboxylate→methyl 4-cyanobenzoate→methyl 4-(pyridin-2-yl)benzoate→4-(pyridin-2-yl)benzoic acid→(isobutyl carbonic) 4-(pyridin-2-yl)benzoic anhydride→(S)-tert-butyl (1-oxo-3-phenylpropan-2-yl)carbamate→(1R,2S)-2-((tert-butoxycarbonyl)amino)-1-cyano-3-phenylpropyl 4-(pyridin-2-yl)benzoate→tert-butyl (E)-2-((2R,3S)-3-((tert-butoxycarbonyl)amino)-4-phenyl-2-((4-(pyridin-2-yl)benzoyl)oxy)butylidene)hydrazine-1-carboxylate→tert-butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-4-phenyl-2-((4-(pyridin-2-yl)benzoyl)oxy)butyl)hydrazine-1-carboxylate→tert-butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzoyl)hydrazine-1-carboxylate

Atazanavir SulfateOptimised routesteps: 8total yield: /

tert-butyl hydrazinecarboxylate→tert-butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazine-1-carboxylate→methyl 4-cyanobenzoate→methyl 4-(pyridin-2-yl)benzoate→4-(pyridin-2-yl)benzoic acid→(isobutyl carbonic) 4-(pyridin-2-yl)benzoic anhydride→(S)-tert-butyl (1-oxo-3-phenylpropan-2-yl)carbamate→(1R,2S)-2-((tert-butoxycarbonyl)amino)-1-cyano-3-phenylpropyl 4-(pyridin-2-yl)benzoate→tert-butyl (E)-2-((2R,3S)-3-((tert-butoxycarbonyl)amino)-4-phenyl-2-((4-(pyridin-2-yl)benzoyl)oxy)butylidene)hydrazine-1-carboxylate→tert-butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-4-phenyl-2-((4-(pyridin-2-yl)benzoyl)oxy)butyl)hydrazine-1-carboxylate→tert-butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzoyl)hydrazine-1-carboxylate

Tranexamic acid (Leading BioSciences)Originator routesteps: 7total yield: 18.7 g

dimethyl terephthalate→potassium 4-(methoxycarbonyl)benzoate→methyl 4-(chlorocarbonyl)benzoate→methyl 4-carbamoylbenzoate→methyl 4-cyanobenzoate→methyl 4-(acetamidomethyl)benzoate→methyl 4-(acetamidomethyl)cyclohexane-1-carboxylate→Tranexamic acid

Intermediates available on this site

No listed intermediates for this target yet — send an RFQ directly and it will enter our matching pool.