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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)

DrugTierExpiry
S-fluoxetineTier C — Watch / trade-
R-fluoxetineTier 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.

R-fluoxetineOptimised routesteps: 7total yield: /
3-Phenyl-2(E)-propenal→1,1-Diphenylmethylamine→1,1-Diphenyl-N-[(1E,2E)-3-phenylprop-2-en-1-ylidene]methanamine→4,4,4',4',5,5,5',5'-Octamethyl-2,2'-bi-1,3,2-dioxaborolane→1,1-Diphenyl-N-[(1E)-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylidene]methanamine→1,1-Diphenyl-N-[(1E,3R)-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylidene]methanamine→Aminomethane→N-[(1E)-3-Phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylidene]methanamine→N-[(1E,3R)-3-Phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylidene]methanamine→N-Methyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine→(3R)-N-Methyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine→(+/-)-n-Methyl-3-hydroxy-3-phenylpropylamine→(1R)-3-(Methylamino)-1-phenylpropan-1-ol→Sodium 3-(methylamino)-1-phenylpropan-1-olate→Sodium (1R)-3-(methylamino)-1-phenylpropan-1-olate→1-Chloro-4-(trifluoromethyl)benzene→(+/-)-N-Methyl-3-phenyl-[3-[4-(trifluoromethyl)phenoxy]propylamine]
R-fluoxetineOptimised routesteps: 4total yield: /
3-Benzoylpropanoic acid→(5R)-5-Phenyloxolan-2-one→(4R)-4-Hydroxy-4-phenylbutanamide→(6R)-6-Phenyl-1,3-oxazinan-2-one→1-Chloro-4-(trifluoromethyl)benzene→(3R)-N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrogen chloride

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