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2-(5-Bromo-2-methoxyphenyl)acetic acid

  • CAS No. 7017-48-3

  • Cat. No. CS-0150364
  • Molecule weight245.07
  • Purity≥98%
  • MDL No.MFCD00016825

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

2-(5-Bromo-2-methoxyphenyl)acetic acid|CS-0150364

Structure of 7017-48-3

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General Information

  • CAS No. 7017-48-3
  • Cat. No. CS-0150364
  • Purity ≥98%
  • MDL No. MFCD00016825
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BrO₃
  • Molecular Weight 245.07
  • Synonym(s) 5-Bromo-2-methoxyphenylacetic acid
  • SMILES COC1=CC=C(C=C1CC(=O)O)Br

Description

This brominated acetic acid derivative features a methoxy-substituted aryl ring, enabling efficient coupling reactions in medicinal chemistry. The para-bromo and ortho-methoxy groups provide distinct electronic and steric handles for diversification. Bench-stable and compatible with standard synthetic protocols.

Application

2-(5-Bromo-2-methoxyphenyl)acetic acid serves as a versatile building block for the synthesis of biologically active compounds, enabling efficient incorporation of brominated aromatic and methoxy functionalities. Its stability under standard reaction conditions and compatibility with palladium-catalyzed cross-coupling reactions facilitate downstream derivatization in medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • Brown, Allan G.; Crimmin, Michael J.; Edwards, Peter D. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1992 , # 1 p. 123 - 130
  • Route2
    • null|null
      863562-62-3
    • ~%
    • In-stock
      2-(5-Bromo-2-methoxyphenyl)acetic acid|CS-0150364
      7017-48-3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 17 p. 3886 - 3890
  • Route3
    • 2-(5-Bromo-2-methoxyphenyl)acetonitrile|CS-0097806
      7062-40-0
    • ~%
    • In-stock
      2-(5-Bromo-2-methoxyphenyl)acetic acid|CS-0150364
      7017-48-3

    References

    • Chemische Berichte, , vol. 42, p. 3499

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   46.53
  • LogP   2.0848
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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