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CAS 58657-26-4

3-Nitropropanal

Codes: (XII)965082-1-b,(XII)965082-1-c

Application context (from source-drug indications)

Marginal zone B-cell lymphomaOrelabrutinibMantle cell lymphomaOrelabrutinibChronic lymphocytic leukaemiaOrelabrutinibImmune thrombocytopenic purpuraOrelabrutinibSystemic lupus erythematosusOrelabrutinibMultiple sclerosisOrelabrutinib

Source drugs (routes using this intermediate)

DrugTierExpiry
OrelabrutinibTier 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.

OrelabrutinibOptimised routesteps: 3total yield: /
tert-Butyl 4-[5-carbamoyl-6-(4-phenoxyphenyl)pyridin-2-yl]piperidine-1-carboxylate→3-Nitropropanal→3-Oxo-3-(4-phenoxyphenyl)propanamide→(2Z)-5-Nitro-2-(4-phenoxybenzoyl)pent-2-enamide→tert-Butyl 4-oxopiperidine-1-carboxylate→tert-Butyl 4-[(3Z)-4-carbamoyl-1-nitro-5-oxo-5-(4-phenoxyphenyl)pent-3-en-1-yl]-4-hydroxypiperidine-1-carboxylate
OrelabrutinibOptimised routesteps: 5total yield: /
2-(4-Phenoxyphenyl)-6-(piperidin-4-yl)pyridine-3-carboxamide→3-Nitropropanal→3-Oxo-3-(4-phenoxyphenyl)propanamide→1-Benzylpiperidin-4-one→1-[(4-Methoxyphenyl)methyl]piperidin-4-one→Acrylaldehyde→1,1-Dimethoxy-3-nitropropane→1,1-Diethoxy-3-nitropropane→1-Benzyl-4-(3,3-dimethoxy-1-nitropropyl)piperidin-4-ol→1-Benzyl-4-(3,3-diethoxy-1-nitropropyl)piperidin-4-ol→4-(3,3-Diethoxy-1-nitropropyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol→(2Z)-5-(1-Benzyl-4-hydroxypiperidin-4-yl)-5-nitro-2-(4-phenoxybenzoyl)pent-2-enamide→(2Z)-5-[4-Hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-nitro-2-(4-phenoxybenzoyl)pent-2-enamide

Intermediates available on this site

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