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CAS 1122-91-4

4-bromobenzaldehyde

Codes: RUCA-001, PANO-006, ATAZ-001, IRBE-011

Application context (from source-drug indications)

Prostate cancerRucaparib CamsylatePeritoneal cancerRucaparib CamsylateEpithelial ovarian cancerRucaparib CamsylateFallopian tube cancerRucaparib CamsylateOvarian cancerRucaparib CamsylateCastration-resistant prostate cancerRucaparib CamsylateMultiple myelomaPanobinostat LactateGliomaPanobinostat LactateDiffuse intrinsic pontine gliomaPanobinostat LactateDiffuse midline gliomaPanobinostat LactateMyelodysplastic syndromePanobinostat LactateAcute myeloid leukaemiaPanobinostat LactateHIV infectionAtazanavir Sulfate/CobicistatHypertensionAtorvastatin Calcium Hydrate/IrbesartanHyperlipidaemiaAtorvastatin Calcium Hydrate/IrbesartanHypertensionIrbesartan/TrichlormethiazideOesophageal diseaseIrbesartanHypertensionIrbesartanDiabetic nephropathyIrbesartanHypercholesterolaemiaIrbesartanAlbuminuriaIrbesartanType 2 diabetesIrbesartanHIV infectionAtazanavir SulfateAcquired immunodeficiency syndromeAtazanavir SulfateMycobacterium tuberculosis infectionAtazanavir SulfateType 1 diabetesAtazanavir Sulfate

Source drugs (routes using this intermediate)

DrugTierExpiry
Rucaparib CamsylateTier C — Watch / trade-
Panobinostat LactateTier C — Watch / trade-
Atazanavir Sulfate/CobicistatTier C — Watch / trade-
Atorvastatin Calcium Hydrate/IrbesartanTier C — Watch / trade-
Irbesartan/TrichlormethiazideTier C — Watch / trade-
IrbesartanTier B — Position early-
Atazanavir SulfateTier 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.

Rucaparib CamsylateOriginator routesteps: 13total yield: 10.76 g
4-bromobenzaldehyde→ethynyltrimethylsilane→4-((trimethylsilyl)ethynyl)benzaldehyde→N-methyl-1-(4-((trimethylsilyl)ethynyl)phenyl)methanamine→methyl methyl(4-((trimethylsilyl)ethynyl)benzyl)carbamate→methyl 4-ethynylbenzyl(methyl)carbamate→methyl 5-fluoro-2-hydroxy-3-nitrobenzoate→methyl 5-fluoro-2-((4-(((methoxycarbonyl)(methyl)amino)methyl)phenyl)ethynyl)-3-nitrobenzoate→methyl 3-amino-5-fluoro-2-((4-(((methoxycarbonyl)(methyl)amino)methyl)phenyl)ethynyl)benzoate→methyl 6-fluoro-2-(4-(((methoxycarbonyl)(methyl)amino)methyl)phenyl)-1H-indole-4-carboxylate→(E)-N,N-dimethyl-2-nitroethenamine→(E)-methyl 6-fluoro-2-(4-(((methoxycarbonyl)(methyl)amino)methyl)phenyl)-3-(2-nitrovinyl)-1H-indole-4-carboxylate→methyl 6-fluoro-2-(4-(((methoxycarbonyl)(methyl)amino)methyl)phenyl)-3-(2-nitroethyl)-1H-indole-4-carboxylate→methyl 4-(8-fluoro-6-oxo-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-2-yl)benzyl(methyl)carbamate→5-fluoro-2-hydroxybenzoic acid→methyl 5-fluoro-2-hydroxybenzoate
Panobinostat LactateOptimised routesteps: 5total yield: /
2-(2-methyl-1H-indol-3-yl)ethan-1-amine→methyl (E)-3-(4-formylphenyl)acrylate→4-bromobenzaldehyde→methyl acrylate→methyl (E)-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)acrylate hydrochloride→2-hydroxypropanoic acid→phenylhydrazine→5-chloropentan-2-one
Atazanavir Sulfate/CobicistatOriginator routesteps: 8total yield: /
4-bromobenzaldehyde→1-bromo-4-(dimethoxymethyl)benzene→2-bromopyridine→4-(pyridin-2-yl)benzaldehyde→tert-butyl hydrazinecarboxylate→tert-butyl (E)-2-(4-(pyridin-2-yl)benzylidene)hydrazine-1-carboxylate→tert-butyl 2-(4-(pyridin-2-yl)benzyl)hydrazine-1-carboxylate→tert-butyl ((S)-1-((R)-oxiran-2-yl)-2-phenylethyl)carbamate→tert-butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazine-1-carboxylate→(2S,3S)-3-amino-4-phenyl-1-(1-(4-(pyridin-2-yl)benzyl)hydrazinyl)butan-2-ol→(S)-2-((methoxycarbonyl)amino)-3,3-dimethylbutanoic acid
Atorvastatin Calcium Hydrate/IrbesartanOptimised routesteps: 5total yield: 380.00 mg
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
Irbesartan/TrichlormethiazideOptimised routesteps: 5total yield: 380.00 mg
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
IrbesartanOptimised routesteps: 5total yield: 380.00 mg
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
Atazanavir SulfateOriginator routesteps: 8total yield: /
4-bromobenzaldehyde→1-bromo-4-(dimethoxymethyl)benzene→2-bromopyridine→4-(pyridin-2-yl)benzaldehyde→tert-butyl hydrazinecarboxylate→tert-butyl (E)-2-(4-(pyridin-2-yl)benzylidene)hydrazine-1-carboxylate→tert-butyl 2-(4-(pyridin-2-yl)benzyl)hydrazine-1-carboxylate→tert-butyl ((S)-1-((R)-oxiran-2-yl)-2-phenylethyl)carbamate→tert-butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazine-1-carboxylate→(2S,3S)-3-amino-4-phenyl-1-(1-(4-(pyridin-2-yl)benzyl)hydrazinyl)butan-2-ol→(S)-2-((methoxycarbonyl)amino)-3,3-dimethylbutanoic acid

Intermediates available on this site

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This is a CAS-level registry record: registrations across routes are merged. Supplier offers and buyer demands will be matched on this CAS as the primary key.