4-(2-Chlorophenyl)-4-oxobutanoic acid

Name: 4-(2-Chlorophenyl)-4-oxobutanoic acid
Brand: ChemScene
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CAS No. 106263-50-7
Cat. No. CS-0156710
Purity≥97%
MDL No.MFCD03844205

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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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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4-(2-Chlorophenyl)-4-oxobutanoic acid|CS-0156710

Structure of 106263-50-7

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Description

4-(2-Chlorophenyl)-4-oxobutanoic acid features a conjugated ketone and carboxylic acid moiety flanking a phenyl-substituted alkyl chain, enabling direct integration into β-ketoacid-based synthetic sequences. The ortho-chloro substituent enhances electrophilicity at the phenyl ring and improves metabolic stability. This compound serves as a key intermediate in the construction of bioactive heterocycles and pharmaceutical scaffolds under standard bench conditions.

Application

4-(2-Chlorophenyl)-4-oxobutanoic acid serves as a versatile building block for heterocyclic synthesis, particularly in the construction of substituted pyrrolidinones and related nitrogen-containing scaffolds. The conjugated ketone-carboxylic acid functionality enables efficient Michael additions, cyclizations, and transition-metal-catalyzed coupling reactions. Its bench-stable crystalline form facilitates handling and purification, while the ortho-chlorophenyl group provides a handle for further functionalization via cross-coupling or electrophilic substitution.

General Information

CAS No. 106263-50-7
Cat. No. CS-0156710
Purity ≥97%
MDL No. MFCD03844205
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉ClO₃
Molecular Weight 212.63
Synonym(s) 4-(2-CHLOROPHENYL)-4-OXOBUTYRIC ACID
SMILES C1=CC=C(C(=C1)C(=O)CCC(=O)O)Cl

Computational Chemistry Data

TPSA 54.37
LogP 2.3875
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 4

Safety Information

Download SDS

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-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-(2-Chlorophenyl)-4-oxobutanoic acid

CAS No. 106263-50-7

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