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CS-W001157 4
Total: USD 88.00

2-(3-Bromophenyl)-2-oxoacetic acid

  • CAS No. 7194-78-7

  • Cat. No. CS-0041879
  • Purity≥97%
  • MDL No.MFCD07698694

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

2-(3-Bromophenyl)-2-oxoacetic acid|CS-0041879

Structure of 7194-78-7

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General Information

  • CAS No. 7194-78-7
  • Cat. No. CS-0041879
  • Purity ≥97%
  • MDL No. MFCD07698694
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrO₃
  • Molecular Weight 229.03
  • Synonym(s) None
  • SMILES O=C(O)C(C1=CC=CC(Br)=C1)=O

Description

2-(3-Bromophenyl)-2-oxoacetic acid features a brominated phenyl ring conjugated to a ketone-functionalized acetic acid moiety, enabling direct incorporation into diverse synthetic scaffolds. This electrophilic α-ketoacid derivative serves as a key building block for pharmaceutical intermediates and bioactive molecule synthesis under standard conditions.

Application

2-(3-Bromophenyl)-2-oxoacetic acid serves as a versatile building block for the synthesis of substituted benzodioxoles and other heterocyclic scaffolds. Its α-ketoacid functionality enables direct decarboxylation or condensation reactions, while the ortho-bromo substituent facilitates palladium-catalyzed cross-coupling transformations. The compound exhibits good bench stability and is compatible with standard purification techniques, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development workflows.

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   54.37
  • LogP   1.7164
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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