CAS 2051-95-8

3-Benzoylpropanoic acid

Codes: SALM-030, (I)263642-2-a, (I)131699-11-a

Application context (from source-drug indications)

AsthmaBudesonide/Salmeterol xinafoateChronic obstructive pulmonary diseaseSalmeterol xinafoateAsthmaSalmeterol xinafoateExercise-induced asthmaSalmeterol xinafoateBronchospasmSalmeterol xinafoateSubmental fat accumulationSalmeterol xinafoate分离性焦虑R-fluoxetineAnxietyR-fluoxetineAnxiety disorderR-fluoxetine

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Budesonide/Salmeterol xinafoate	Tier C — Watch / trade	-
Salmeterol xinafoate	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.

Budesonide/Salmeterol xinafoateOptimised routesteps: 11total yield: 1.3 g (Salmeterol xinafoate)

SALM-025→methyl 5-acetyl-2-hydroxybenzoate→SALM-026→SALM-027→N-benzyl-6-(4-phenylbutoxy)hexan-1-amine→SALM-028→SALM-029→SALM-030→SALM-031→SALM-032→4-phenylbutan-1-ol→SALM-033→SALM-034

Salmeterol xinafoateOptimised routesteps: 11total yield: 1.3 g (Salmeterol xinafoate)

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

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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