CAS 614-16-4

3-Oxo-3-phenylpropanenitrile

Codes: (I)236036-1-a, (I)263642-7-a

Application context (from source-drug indications)

分离性焦虑S-fluoxetineAnxietyS-fluoxetineAnxiety disorderS-fluoxetine分离性焦虑R-fluoxetineAnxietyR-fluoxetineAnxiety disorderR-fluoxetine

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
S-fluoxetine	Tier C — Watch / trade	-
R-fluoxetine	Tier 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.

S-fluoxetineOptimised routesteps: 4total yield: /

3-Oxo-3-phenylpropanenitrile→(3aR,8aS)-2-methyl-2H,3H,3aH,8H,8aH-indeno[1,2-d][1,3,2]oxazaborole→(1S)-3-Amino-1-phenylpropan-1-ol→tert-butyl N-[(3S)-3-hydroxy-3-phenylpropyl]carbamate→4-(Trifluoromethyl)phenol→tert-butyl N-[(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate

R-fluoxetineOptimised routesteps: 5total yield: /

3-Oxo-3-phenylpropanenitrile→(3R)-3-Hydroxy-3-phenylpropanenitrile→3-Hydroxy-3-phenylpropanenitrile→(1R)-3-Amino-1-phenylpropan-1-ol→Carbonochloridic acid ethyl ester→Carbonochloridic acid methyl ester→Ethyl [(3R)-3-hydroxy-3-phenylpropyl]carbamate→Methyl [(3R)-3-hydroxy-3-phenylpropyl]carbamate→(1R)-3-(Methylamino)-1-phenylpropan-1-ol→1-Chloro-4-(trifluoromethyl)benzene→(3R)-3-Phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride→Methyl [(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate→Benzaldehyde→Ethynamine

Intermediates available on this site

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