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CAS 3612-20-2

1-benzylpiperidin-4-one1-(Phenylmethyl)-4-piperidinone1-Benzylpiperidin-4-one

Codes: DONE-014, (I)663167-2-a, (I)909096-1-a, Dalpiciclib Isethionate-001, (XIXa)965082-1-c

Application context (from source-drug indications)

Alzheimer's diseaseMemantine Hydrochloride/Donepezil HydrochlorideLewy body dementiaDonepezil HydrochlorideAlzheimer's diseaseDonepezil HydrochlorideDementiaDonepezil HydrochlorideMemory impairmentDonepezil HydrochlorideMild cognitive impairmentDonepezil HydrochlorideOsteoporosisDonepezil HydrochlorideBiliary tract cancerTasurgratinibBile duct cancerTasurgratinibSolid tumourTasurgratinibCholangiocarcinomaTasurgratinibBreast cancerTasurgratinibHepatic function declineTasurgratinibNon-small cell lung cancerIruplinalkibBreast cancerDalpiciclib IsethionateMetastatic breast cancerDalpiciclib IsethionateProstate cancerDalpiciclib Isethionate三阴性乳腺癌Dalpiciclib IsethionateMeningiomaDalpiciclib IsethionateHepatic function declineDalpiciclib IsethionateMarginal zone B-cell lymphomaOrelabrutinibMantle cell lymphomaOrelabrutinibChronic lymphocytic leukaemiaOrelabrutinibImmune thrombocytopenic purpuraOrelabrutinibSystemic lupus erythematosusOrelabrutinibMultiple sclerosisOrelabrutinib

Source drugs (routes using this intermediate)

DrugTierExpiry
Memantine Hydrochloride/Donepezil HydrochlorideTier C — Watch / trade-
Donepezil HydrochlorideTier B — Position early-
TasurgratinibTier C — Watch / trade-
IruplinalkibTier C — Watch / trade-
Dalpiciclib IsethionateTier C — Watch / trade-
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.

TasurgratinibOptimised routesteps: 3total yield: /
IruplinalkibOptimised routesteps: 9total yield: /
1-(Phenylmethyl)-4-piperidinone→3-Ethoxy-3-oxopropanenitrile→2,4-Dioxo-9-(phenylmethyl)-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile→1'-Benzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,4'-piperidine]-2,4,6,8-tetrone→9-(Phenylmethyl)-3,9-diazaspiro[5.5]undecane-2,4-dione→3-Benzyl-3,9-diazaspiro[5.5]undecane→3-Boc-3,9-diazaspiro[5.5]undecane→4-Fluoro-2-methoxy-1-nitrobenzene→tert-Butyl 9-(3-methoxy-4-nitrophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate→tert-Butyl 9-(4-amino-3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate→(2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide→5-Chloro-N2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyphenyl]-N4-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine→Formaldehyde
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

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