248193

3′-Chloropropiophenone

98%

• Linear Formula: ClC₆H₄COC₂H₅
• CAS Number: 34841-35-5
• Molecular Weight: 168.62
• EC Number: 252-242-3
• MDL number: MFCD00009925
• UNSPSC Code: 12352100
• PubChem Substance ID: 24854919
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 98%
• form: solid
• bp: 124 °C/14 mmHg (lit.)
• mp: 45-47 °C (lit.)
• functional group: chloro; ketone
• SMILES string: CCC(=O)c1cccc(Cl)c1
• InChI: 1S/C9H9ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
• InChI key: PQWGFUFROKIJBO-UHFFFAOYSA-N

Description

General description

Influence of solvents and temperature on the yield and enantioselectivity of the phenylation of 3′-chloropropiophenone has been investigated.

Application

3′-Chloropropiophenone can be used as a reactant to synthesize:

• (S)-3-chloro-1-phenylpropanol via bio-catalyzed asymmetric reduction method.
• 1-(3-Chlorophenyl)-1-phenyl-1-propanol by phenylation with diphenylzinc in the presence of dihydroxy bis(sulfonamide) ligand.
• (S)-Dapoxetine, a selective serotonin reuptake inhibitor.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves