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CS-W001157 4
Total: USD 88.00

2-(2-Bromo-4-methoxyphenyl)acetic acid

  • CAS No. 66916-99-2

  • Cat. No. CS-W010257
  • Molecule weight245.07
  • Purity≥97%
  • MDL No.MFCD02664700

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

2-(2-Bromo-4-methoxyphenyl)acetic acid|CS-W010257

Structure of 66916-99-2

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General Information

  • CAS No. 66916-99-2
  • Cat. No. CS-W010257
  • Purity ≥97%
  • MDL No. MFCD02664700
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BrO₃
  • Molecular Weight 245.07
  • Synonym(s) benzeneacetic acid, 2-bromo-4-methoxy-
  • SMILES O=C(O)CC1=CC=C(OC)C=C1Br

Description

This brominated phenylacetic acid derivative features a methoxy-substituted aryl ring enabling selective functionalization in cross-coupling reactions. The ortho-bromo group facilitates palladium-catalyzed transformations, while the carboxylic acid moiety offers direct conjugation potential. Bench-stable and compatible with standard synthetic protocols, it serves as a key intermediate in bioactive molecule synthesis.

Application

2-(2-Bromo-4-methoxyphenyl)acetic acid serves as a versatile building block in medicinal chemistry, enabling efficient access to biologically relevant scaffolds through standard coupling and functionalization reactions. Its bromo group facilitates palladium-catalyzed cross-coupling, while the carboxylic acid supports direct derivatization or amide formation. The methoxy substituent provides moderate electronic modulation and enhances solubility, contributing to favorable handling and purification profiles in multi-step syntheses.

Synthesis

  • Route1

    References

    • Journal of the Chemical Society - Perkin Transactions 1, , # 18 p. 2747 - 2755
  • Route2

    References

    • Journal of the Chemical Society - Perkin Transactions 1, , # 18 p. 2747 - 2755
  • Route3

    References

    • Journal of the Chemical Society - Perkin Transactions 1, , # 18 p. 2747 - 2755

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS09
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H410
Precautionary Statements : P264-P270-P273-P330-P391-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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