Ethyl 2-(4-chlorophenyl)-2-oxoacetate

Name: Ethyl 2-(4-chlorophenyl)-2-oxoacetate
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CAS No. 34966-48-8
Cat. No. CS-W004977
Purity≥95%
MDL No.MFCD01319615

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Ethyl 2-(4-chlorophenyl)-2-oxoacetate|CS-W004977

Structure of 34966-48-8

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General Information

CAS No. 34966-48-8
Cat. No. CS-W004977
Purity ≥95%
MDL No. MFCD01319615
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉ClO₃
Molecular Weight 212.63
Synonym(s) Ethyl 4-chlorobenzoylformate
SMILES O=C(C1=CC=C(Cl)C=C1)C(OCC)=O

Description

Ethyl 2-(4-chlorophenyl)-2-oxoacetate features a benzoyl-like scaffold with a chlorinated aryl group, enabling efficient integration into heterocyclic synthesis. This electrophilic enol ether delivers high reactivity under mild conditions, supporting rapid access to fused ring systems in medicinal chemistry applications.

Application

Ethyl 2-(4-chlorophenyl)-2-oxoacetate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzoyl derivatives and heterocyclic scaffolds. Its α-ketoester functionality facilitates nucleophilic additions, Claisen condensations, and cycloaddition reactions with high functional group tolerance. The 4-chlorophenyl substituent enhances stability and provides a handle for further derivatization via cross-coupling. This compound exhibits excellent bench stability and is readily purified by standard chromatographic methods, making it ideal for iterative synthesis workflows in medicinal chemistry and process development.

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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Computational Chemistry Data

TPSA 43.37
LogP 2.0858
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Ethyl 2-(4-chlorophenyl)-2-oxoacetate

CAS No. 34966-48-8

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