3-Chloropropiophenone

CAS No. 936-59-4
Cat. No. CS-0030740
Purity≥98%
MDL No.MFCD00000990

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Description

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)-,-diphenylprolinol.

Application

3-Chloropropiophenone serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of pharmaceutically relevant scaffolds. Its α,β-unsaturated ketone functionality supports Michael additions, conjugate reductions, and transition-metal-catalyzed couplings. The chloro substituent enhances electrophilicity for nucleophilic substitution and facilitates downstream functionalization. Bench-stable and amenable to standard purification techniques, it functions reliably in multistep syntheses requiring robust reactivity and predictable transformation pathways.

General Information

CAS No. 936-59-4
Cat. No. CS-0030740
Purity ≥98%
MDL No. MFCD00000990
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉ClO
Molecular Weight 168.62
Synonym(s) β-Chloroethyl phenyl ketone
SMILES O=C(C1=CC=CC=C1)CCCl

Computational Chemistry Data

TPSA 17.07
LogP 2.4982
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 3

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Bioactive Molecules Dye and Bio-assay Reagents

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Chloropropiophenone

CAS No. 936-59-4

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