335614
3-Chloropropiophenone
98%
Synonym(s):
β-Chloropropiophenone, 3-Chloro-1-phenyl-1-propanone
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About This Item
Linear Formula:
ClCH2CH2COC6H5
CAS Number:
Molecular Weight:
168.62
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
213-317-6
Beilstein/REAXYS Number:
2043580
MDL number:
Product Name
3-Chloropropiophenone, 98%
InChI key
KTJRGPZVSKWRTJ-UHFFFAOYSA-N
InChI
1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
SMILES string
ClCCC(=O)c1ccccc1
assay
98%
form
solid
bp
113-115 °C/4 mmHg (lit.)
mp
48-50 °C (lit.)
functional group
chloro
ketone
phenyl
Quality Level
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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.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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An efficient method for asymmetric reduction of (S)-3-chloro-1-phenylpropanol from 3-chloropropiophenone was developed using preheated Candida utilis cells immobilized in calcium alginate gel beads. Heating the immobilized cells (bead diameter 1.5 mm) at 45 degrees C for 50 min allowed the
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