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CS-W001157 4
Total: USD 88.00

2-(3,5-Dibromophenyl)acetic acid

  • CAS No. 188347-49-1

  • Cat. No. CS-W003441
  • Purity≥96%
  • MDL No.MFCD07787513

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

2-(3,5-Dibromophenyl)acetic acid|CS-W003441

Structure of 188347-49-1

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General Information

  • CAS No. 188347-49-1
  • Cat. No. CS-W003441
  • Purity ≥96%
  • MDL No. MFCD07787513
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆Br₂O₂
  • Molecular Weight 293.94
  • Synonym(s) 3,5-Dibromophenylacetic acid
  • SMILES OC(=O)Cc1cc(Br)cc(c1)Br

Description

This dibrominated phenylacetic acid features a sterically hindered aryl moiety with two bromine atoms positioned at the 3 and 5 ring positions, enhancing its utility in cross-coupling reactions. The carboxylic acid functional group enables direct derivatization or incorporation into pharmaceutical intermediates. Bench-stable and moisture-tolerant, it serves as a reliable building block for complex molecular architectures.

Application

2-(3,5-Dibromophenyl)acetic acid serves as a versatile building block for brominated aromatic scaffolds in medicinal chemistry and materials science. Its dibromo substitution pattern enables selective cross-coupling reactions, while the acetic acid functionality facilitates derivatization via esterification or amidation. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for iterative synthetic workflows requiring halogen-directed functionalization.

Synthesis

  • Route1

    References

    • Journal of Organic Chemistry, , vol. 62, # 7 p. 2173 - 2185
  • Route2

    References

    • Synthesis, , # 12 p. 1411 - 1414
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 62, # 7 p. 2173 - 2185

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   37.3
  • LogP   2.8387
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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