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

  • CAS No. 122394-38-1

  • Cat. No. CS-0092666
  • Purity≥97%
  • MDL No.MFCD18206246

*For research and further manufacturing use only, not for direct human use.

Methyl 2-(2-bromophenyl)-2-oxoacetate|CS-0092666

Structure of 122394-38-1

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General Information

  • CAS No. 122394-38-1
  • Cat. No. CS-0092666
  • Purity ≥97%
  • MDL No. MFCD18206246
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇BrO₃
  • Molecular Weight 243.05
  • Synonym(s) Methyl (2-bromophenyl)(oxo)acetate
  • SMILES O=C(OC)C(C1=CC=CC=C1Br)=O

Description

Methyl 2-(2-bromophenyl)-2-oxoacetate is a bench-stable, moisture-tolerant reagent featuring a brominated aromatic ring and an α-halo ketone functionality. This electrophilic scaffold integrates readily into transition-metal-catalyzed coupling processes and serves as a key intermediate in the synthesis of substituted benzopyrones and heterocyclic frameworks.

Application

Methyl 2-(2-bromophenyl)-2-oxoacetate serves as a versatile building block for heterocyclic synthesis, enabling efficient access to benzopyran and quinoline scaffolds via cyclization reactions. The ortho-bromoaryl moiety facilitates palladium-catalyzed coupling processes, while the ester and ketone functionalities support sequential functionalization. Bench-stable and readily purified by flash chromatography, it functions reliably in multi-step synthetic sequences requiring orthogonal reactivity.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.8048
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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