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CAS 144873-97-2
(2-(1-trityl-1H-tetrazol-5-yl)phenyl)boronic acid
Codes: IRBE-016, VALS-015, CAND-041
Application context (from source-drug indications)
HypertensionAtorvastatin Calcium Hydrate/IrbesartanHyperlipidaemiaAtorvastatin Calcium Hydrate/IrbesartanHypertensionLevamlodipine Besylate/ValsartanEssential hypertensionLevamlodipine Besylate/ValsartanEssential hypertensionValsartan/Amlodipine OrotateEssential hypertensionValsartan/Lercanidipine HydrochlorideHypertensionIrbesartan/TrichlormethiazideHypertensionAmlodipine Besylate/Candesartan CilexetilLeft ventricular dysfunctionValsartanHypertensionValsartanEssential hypertensionValsartanPulmonary arterial hypertensionValsartanRight ventricular dysfunctionValsartanPost-myocardial infarction syndromeValsartanOesophageal diseaseIrbesartanHypertensionIrbesartanDiabetic nephropathyIrbesartanHypercholesterolaemiaIrbesartanAlbuminuriaIrbesartanType 2 diabetesIrbesartanHypertensionCandesartan CilexetilHeart failureCandesartan CilexetilEssential hypertensionCandesartan CilexetilMigraineCandesartan CilexetilCOVID-19Candesartan CilexetilManiaCandesartan Cilexetil
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Atorvastatin Calcium Hydrate/Irbesartan | Tier C — Watch / trade | - |
| Levamlodipine Besylate/Valsartan | Tier C — Watch / trade | - |
| Valsartan/Amlodipine Orotate | Tier C — Watch / trade | - |
| Valsartan/Lercanidipine Hydrochloride | Tier C — Watch / trade | - |
| Irbesartan/Trichlormethiazide | Tier C — Watch / trade | - |
| Amlodipine Besylate/Candesartan Cilexetil | Tier C — Watch / trade | - |
| Valsartan | Tier B — Position early | - |
| Irbesartan | 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.
1,4-dibromobenzene→4-bromobenzaldehyde→(4-bromophenyl)methanol→1-bromo-4-(bromomethyl)benzene→2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one hydrochloride→3-(4-bromobenzyl)-2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one→(2-(1-trityl-1H-tetrazol-5-yl)phenyl)boronic acid
methyl L-valinate hydrochloride→pentanoyl chloride→1-bromo-4-(bromomethyl)benzene→(S)-methyl 2-((4-bromobenzyl)amino)-3-methylbutanoate→(S)-methyl 2-(N-(4-bromobenzyl)pentanamido)-3-methylbutanoate→(2-(1-trityl-1H-tetrazol-5-yl)phenyl)boronic acid→(S)-methyl 3-methyl-2-(N-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)butanoate
methyl L-valinate hydrochloride→pentanoyl chloride→1-bromo-4-(bromomethyl)benzene→(S)-methyl 2-((4-bromobenzyl)amino)-3-methylbutanoate→(S)-methyl 2-(N-(4-bromobenzyl)pentanamido)-3-methylbutanoate→(2-(1-trityl-1H-tetrazol-5-yl)phenyl)boronic acid→(S)-methyl 3-methyl-2-(N-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)butanoate
methyl L-valinate hydrochloride→pentanoyl chloride→1-bromo-4-(bromomethyl)benzene→(S)-methyl 2-((4-bromobenzyl)amino)-3-methylbutanoate→(S)-methyl 2-(N-(4-bromobenzyl)pentanamido)-3-methylbutanoate→(2-(1-trityl-1H-tetrazol-5-yl)phenyl)boronic acid→(S)-methyl 3-methyl-2-(N-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)butanoate
1,4-dibromobenzene→4-bromobenzaldehyde→(4-bromophenyl)methanol→1-bromo-4-(bromomethyl)benzene→2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one hydrochloride→3-(4-bromobenzyl)-2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one→(2-(1-trityl-1H-tetrazol-5-yl)phenyl)boronic acid
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
methyl L-valinate hydrochloride→pentanoyl chloride→1-bromo-4-(bromomethyl)benzene→(S)-methyl 2-((4-bromobenzyl)amino)-3-methylbutanoate→(S)-methyl 2-(N-(4-bromobenzyl)pentanamido)-3-methylbutanoate→(2-(1-trityl-1H-tetrazol-5-yl)phenyl)boronic acid→(S)-methyl 3-methyl-2-(N-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)butanoate
1,4-dibromobenzene→4-bromobenzaldehyde→(4-bromophenyl)methanol→1-bromo-4-(bromomethyl)benzene→2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one hydrochloride→3-(4-bromobenzyl)-2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one→(2-(1-trityl-1H-tetrazol-5-yl)phenyl)boronic acid
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
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