CAS 98-56-6

1-Chloro-4-(trifluoromethyl)benzene

Codes: (VII)236036-3-a, (VI)236036-4-a, (IX)236036-8-a, (VI)263642-1-a, (VIII)263642-2-a, (VI)263642-6-a, (VII)263642-7-a, (XI)263642-13-a, (V)131699-11-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: 5total yield: /

Ethyl (3S)-3-hydroxy-3-phenylpropanoate→1-Phenylpropane-1,3-diol→1-Phenyl-3-(4-toluenesulphonyloxy)propan-1-ol→(1S)-3-{[(4-methylbenzene)sulfonyl]oxy}-1-phenylpropan-1-ol→3-{[(4-methylbenzene)sulfonyl]oxy}-1-phenylpropan-1-one→(1S)-3-(Methylamino)-1-phenylpropan-1-ol→1-Chloro-4-(trifluoromethyl)benzene

S-fluoxetineOptimised routesteps: 5total yield: /

3-Phenyl-2-propen-1-ol→[3(R)-Phenyloxiran-2(R)-yl]methanol→(S)-(-)-1-Phenyl-1,3-propanediol→(3S)-3-Hydroxy-3-phenylpropyl methanesulfonate→(1S)-3-(Methylamino)-1-phenylpropan-1-ol→1-Chloro-4-(trifluoromethyl)benzene

S-fluoxetineOptimised routesteps: 6total yield: /

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

R-fluoxetineOptimised routesteps: 7total yield: /

1-Phenylethan-1-one→Benzylmethylamine→3-[benzyl(methyl)amino]-1-phenylpropan-1-one→(1R)-3-[Benzyl(methyl)amino]-1-phenylpropan-1-ol→(1R)-3-(Methylamino)-1-phenylpropan-1-ol→1-Chloro-4-(trifluoromethyl)benzene

R-fluoxetineOptimised routesteps: 5total yield: /

3-Benzoylpropanoic acid→Methyl 4-oxo-4-phenylbutanoate→(5S)-5-phenyloxolan-2-one→(4S)-4-hydroxy-4-phenylbutanamide→(6S)-6-phenyl-1,3-oxazinan-2-one→(6S)-3-methyl-6-phenyl-1,3-oxazinan-2-one→(1S)-3-(Methylamino)-1-phenylpropan-1-ol→1-Chloro-4-(trifluoromethyl)benzene

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