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CAS 57113-90-3
methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate
Codes: AZIL-003, CAND-033
Application context (from source-drug indications)
HypertensionAzilsartan Medoxomil Potassium/ChlorthalidoneEssential hypertensionAzilsartan Medoxomil Potassium/ChlorthalidoneHypertensionAmlodipine Besylate/Candesartan CilexetilEssential hypertensionAzilsartan Medoxomil PotassiumHypertensionAzilsartan Medoxomil PotassiumHypertensionCandesartan CilexetilHeart failureCandesartan CilexetilEssential hypertensionCandesartan CilexetilMigraineCandesartan CilexetilCOVID-19Candesartan CilexetilManiaCandesartan Cilexetil
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Azilsartan Medoxomil Potassium/Chlorthalidone | Tier C — Watch / trade | - |
| Amlodipine Besylate/Candesartan Cilexetil | Tier C — Watch / trade | - |
| Azilsartan Medoxomil Potassium | Tier C — Watch / trade | - |
| 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.
3-nitrophthalic acid→2-(methoxycarbonyl)-6-nitrobenzoic acid→methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate→4'-(bromomethyl)-[1,1'-biphenyl]-2-carbonitrile→methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate→methyl 3-amino-2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)benzoate→methyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate→methyl (Z)-2-ethoxy-1-((2'-(N'-hydroxycarbamimidoyl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate→methyl 2-ethoxy-1-((2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate→4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one→4-(chloromethyl)-5-methyl-1,3-dioxol-2-one
methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate→methyl 2-ethoxy-1-((2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate→4'-methyl-[1,1'-biphenyl]-2-carboxamide→4'-(bromomethyl)-[1,1'-biphenyl]-2-carboxamide→methyl 2-((tert-butoxycarbonyl)((2'-carbamoyl-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate→methyl 2-(((2'-carbamoyl-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate→methyl 3-amino-2-(((2'-carbamoyl-[1,1'-biphenyl]-4-yl)methyl)amino)benzoate→methyl 1-((2'-carbamoyl-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate→methyl 2-ethoxy-1-((2'-(ethoxy(imino)methyl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate→2,6-dichloro-9-((3S,4R,5R)-3-fluoro-4-((triisopropylsilyl)oxy)-5-(((triisopropylsilyl)oxy)methyl)tetrahydrofuran-2-yl)-9H-purine
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
triethoxymethoxyethane→1-chloroethyl cyclohexyl carbonate→methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate→5-phenyl-2H-tetrazole→1-(4-methoxybenzyl)-5-phenyl-1H-tetrazole→4-bromobenzyl acetate→(2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl acetate→(2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methanol→5-(4'-(bromomethyl)-[1,1'-biphenyl]-2-yl)-1-(4-methoxybenzyl)-1H-tetrazole→methyl 2-((tert-butoxycarbonyl)((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate→methyl 2-(((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate→methyl 3-amino-2-(((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)benzoate→methyl 2-ethoxy-1-((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate→2-ethoxy-1-((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylic acid→1-(((cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate→(4-bromophenyl)methanol
3-nitrophthalic acid→2-(methoxycarbonyl)-6-nitrobenzoic acid→methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate→4'-(bromomethyl)-[1,1'-biphenyl]-2-carbonitrile→methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate→methyl 3-amino-2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)benzoate→methyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate→methyl (Z)-2-ethoxy-1-((2'-(N'-hydroxycarbamimidoyl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate→methyl 2-ethoxy-1-((2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate→4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one→4-(chloromethyl)-5-methyl-1,3-dioxol-2-one
methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate→methyl 2-ethoxy-1-((2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate→4'-methyl-[1,1'-biphenyl]-2-carboxamide→4'-(bromomethyl)-[1,1'-biphenyl]-2-carboxamide→methyl 2-((tert-butoxycarbonyl)((2'-carbamoyl-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate→methyl 2-(((2'-carbamoyl-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate→methyl 3-amino-2-(((2'-carbamoyl-[1,1'-biphenyl]-4-yl)methyl)amino)benzoate→methyl 1-((2'-carbamoyl-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate→methyl 2-ethoxy-1-((2'-(ethoxy(imino)methyl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate→2,6-dichloro-9-((3S,4R,5R)-3-fluoro-4-((triisopropylsilyl)oxy)-5-(((triisopropylsilyl)oxy)methyl)tetrahydrofuran-2-yl)-9H-purine
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
triethoxymethoxyethane→1-chloroethyl cyclohexyl carbonate→methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate→5-phenyl-2H-tetrazole→1-(4-methoxybenzyl)-5-phenyl-1H-tetrazole→4-bromobenzyl acetate→(2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl acetate→(2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methanol→5-(4'-(bromomethyl)-[1,1'-biphenyl]-2-yl)-1-(4-methoxybenzyl)-1H-tetrazole→methyl 2-((tert-butoxycarbonyl)((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate→methyl 2-(((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate→methyl 3-amino-2-(((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)benzoate→methyl 2-ethoxy-1-((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate→2-ethoxy-1-((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylic acid→1-(((cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate→(4-bromophenyl)methanol
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