Benzonitrile (100-47-0) intermediate | Unibest supply network

Application context (from source-drug indications)

Breast cancerPaclitaxel/Encequidar mesylateAdenocarcinomaPaclitaxel/Encequidar mesylateAngiosarcomaPaclitaxel/Encequidar mesylateSolid tumourPaclitaxel/Encequidar mesylateHypertensionAmlodipine Besylate/Candesartan CilexetilPancreatic cancerPaclitaxelNon-small cell lung cancerPaclitaxelHodgkin's diseasePaclitaxelSeminomaPaclitaxelOvarian cancerPaclitaxelBreast cancerPaclitaxelHypertensionCandesartan CilexetilHeart failureCandesartan CilexetilEssential hypertensionCandesartan CilexetilMigraineCandesartan CilexetilCOVID-19Candesartan CilexetilManiaCandesartan Cilexetil

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Paclitaxel/Encequidar mesylate	Tier C — Watch / trade	-
Amlodipine Besylate/Candesartan Cilexetil	Tier C — Watch / trade	-
Paclitaxel	Tier B — Position early	-
Candesartan Cilexetil	Tier B — Position early	-

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.

Paclitaxel/Encequidar mesylateOptimised routesteps: 2total yield: /

methyl (2S,3R)-2,3-dihydroxy-3-phenylpropanoate→Benzonitrile→methyl (4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate→(2R,3S)-2-Hydroxy-3-phenyl-3-(phenylformamido)propanoic acid

Amlodipine Besylate/Candesartan CilexetilOptimised routesteps: 15total yield: 2.05 g

3-nitrophthalic acid→triethoxymethoxyethane→cyclohexyl (1-iodoethyl) carbonate→1-(((cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate→2-(methoxycarbonyl)-6-nitrobenzoic acid→methyl 2-(chlorocarbonyl)-3-nitrobenzoate→methyl 2-(azidocarbonyl)-3-nitrobenzoate→methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate→1-bromo-4-(bromomethyl)benzene→methyl 2-((4-bromobenzyl)(tert-butoxycarbonyl)amino)-3-nitrobenzoate→methyl 2-((4-bromobenzyl)amino)-3-nitrobenzoate→methyl 3-amino-2-((4-bromobenzyl)amino)benzoate→methyl 1-(4-bromobenzyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate→1-(4-bromobenzyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylic acid→1-(((cyclohexyloxy)carbonyl)oxy)ethyl 1-(4-bromobenzyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate→(2-(1-trityl-1H-tetrazol-5-yl)phenyl)boronic acid→benzonitrile→5-phenyl-2H-tetrazole→5-phenyl-1-trityl-1H-tetrazole

PaclitaxelOptimised routesteps: 2total yield: /

methyl (2S,3R)-2,3-dihydroxy-3-phenylpropanoate→Benzonitrile→methyl (4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate→(2R,3S)-2-Hydroxy-3-phenyl-3-(phenylformamido)propanoic acid

Candesartan CilexetilOptimised routesteps: 15total yield: 2.05 g

3-nitrophthalic acid→triethoxymethoxyethane→cyclohexyl (1-iodoethyl) carbonate→1-(((cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate→2-(methoxycarbonyl)-6-nitrobenzoic acid→methyl 2-(chlorocarbonyl)-3-nitrobenzoate→methyl 2-(azidocarbonyl)-3-nitrobenzoate→methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate→1-bromo-4-(bromomethyl)benzene→methyl 2-((4-bromobenzyl)(tert-butoxycarbonyl)amino)-3-nitrobenzoate→methyl 2-((4-bromobenzyl)amino)-3-nitrobenzoate→methyl 3-amino-2-((4-bromobenzyl)amino)benzoate→methyl 1-(4-bromobenzyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate→1-(4-bromobenzyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylic acid→1-(((cyclohexyloxy)carbonyl)oxy)ethyl 1-(4-bromobenzyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate→(2-(1-trityl-1H-tetrazol-5-yl)phenyl)boronic acid→benzonitrile→5-phenyl-2H-tetrazole→5-phenyl-1-trityl-1H-tetrazole

Intermediates available on this site

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