335614
3-Chloropropiophenone
98%
Synonym(s):
β-Chloropropiophenone, 3-Chloro-1-phenyl-1-propanone
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All Photos(2)
About This Item
Linear Formula:
ClCH2CH2COC6H5
CAS Number:
Molecular Weight:
168.62
Beilstein:
2043580
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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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 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
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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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