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:
Assay:
98%
Form:
solid
Quality Level
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
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.
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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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Asymmetric Synthesis of (R)-Fluoxetine: A Practical Approach Using Recyclable and in-situ Generated Oxazaborolidine Catalyst.
Padiya K, et al.
Chin. J. Chem., 27(6), 1137-1140 (2009)
Yang Gen-Sheng et al.
Biotechnology letters, 31(12), 1879-1883 (2009-07-28)
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
Milada Šírová et al.
Journal of drug targeting, 25(9-10), 796-808 (2017-07-21)
Polymer carriers based on N-(2-hydroxypropyl)methacrylamide (HPMA) copolymers with incorporated organic nitrates as nitric oxide (NO) donors were designed with the aim to localise NO generation in solid tumours, thus highly increasing the enhanced permeability and retention (EPR) effect. The NO
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 335614-10G | 04061826740101 |
| 335614-50G | 04061831829433 |