335614

3-Chloropropiophenone

98%

• Synonym(s): β-Chloropropiophenone, 3-Chloro-1-phenyl-1-propanone
• Linear Formula: ClCH₂CH₂COC₆H₅
• CAS Number: 936-59-4
• Molecular Weight: 168.62
• Beilstein: 2043580
• EC Number: 213-317-6
• MDL number: MFCD00000990
• UNSPSC Code: 12352100
• PubChem Substance ID: 24860332
• NACRES: NA.22

Properties

• Quality Level: 200
• Assay: 98%
• form: solid
• bp: 113-115 °C/4 mmHg (lit.)
• mp: 48-50 °C (lit.)
• functional group: chloro; ketone; phenyl
• SMILES string: ClCCC(=O)c1ccccc1
• InChI: 1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
• InChI key: KTJRGPZVSKWRTJ-UHFFFAOYSA-N

Description

Application

3-Chloropropiophenone was used in the asymmetric reduction of (S)-3-chloro-1-phenylpropanol using preheated Candida utilis cells immobilized in calcium alginate gel beads. It was also used in the synthesis of (R)-3-chloro-1-phenyl-1-propanol via asymmetric reduction using in-situ generated oxazaborolidine catalyst derived from (S)-α,α-diphenylprolinol.

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