Methyl 2-(3-bromophenyl)-2-oxoacetate

Name: Methyl 2-(3-bromophenyl)-2-oxoacetate
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CAS No. 81316-36-1
Cat. No. CS-0150928
Purity≥98%
MDL No.MFCD11973930

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Methyl 2-(3-bromophenyl)-2-oxoacetate|CS-0150928

Structure of 81316-36-1

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Description

Methyl 2-(3-bromophenyl)-2-oxoacetate features a brominated aromatic ring coupled to a β-keto ester motif, enabling direct participation in palladium-catalyzed cross-coupling reactions. The electron-deficient aryl halide and enolizable carbonyl group facilitate efficient C–C bond formation under mild conditions. This compound serves as a key intermediate for synthesizing substituted benzophenones and heterocyclic architectures.

Application

Methyl 2-(3-bromophenyl)-2-oxoacetate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzoyl derivatives and heterocyclic scaffolds. Its brominated aryl moiety facilitates palladium-catalyzed cross-coupling reactions, while the α-keto ester functionality supports nucleophilic additions and condensation processes. The compound exhibits good bench stability and is compatible with standard purification protocols, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

General Information

CAS No. 81316-36-1
Cat. No. CS-0150928
Purity ≥98%
MDL No. MFCD11973930
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇BrO₃
Molecular Weight 243.05
Synonym(s) methyl 3-bromobenzoylformate
SMILES COC(=O)C(=O)C1=CC(=CC=C1)Br

Computational Chemistry Data

TPSA 43.37
LogP 1.8048
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

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 Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 2-(3-bromophenyl)-2-oxoacetate

CAS No. 81316-36-1

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