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CS-W001157 4
Total: USD 88.00

3-Bromophenylacetic acid

  • CAS No. 1878-67-7

  • Cat. No. CS-W004766
  • Purity≥95%
  • MDL No.MFCD00004330

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

3-Bromophenylacetic acid|CS-W004766

Structure of 1878-67-7

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General Information

  • CAS No. 1878-67-7
  • Cat. No. CS-W004766
  • Purity ≥95%
  • MDL No. MFCD00004330
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrO₂
  • Molecular Weight 215.04
  • Synonym(s) None
  • SMILES O=C(O)CC1=CC=CC(Br)=C1

Description

3-Bromophenylacetic acid was used in the preparation of 3-bromophenylacetaldehyde by di-isobutyl aluminum hydride (DIBAL) reduction.

Application

3-Bromophenylacetic acid serves as a versatile building block in medicinal chemistry and materials synthesis, enabling direct incorporation of both aryl and carboxylic acid functionalities. Its bromine substituent facilitates palladium-catalyzed cross-coupling reactions, while the benzylic carboxylic acid group supports derivatization via amide formation or esterification. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for iterative synthetic workflows in API development and functionalized aromatic scaffold construction.

Synthesis

  • Route1
    • null|null
      201230-82-2
    • null|null
      932-77-4
    • ~77%
    • In-stock
      3-Bromophenylacetic acid|CS-W004766
      1878-67-7

    References

    • She, Meng-Yao; Xiao, Da-Wei; Yin, Bing; Yang, Zheng; Liu, Ping; Li, Jian-Li; Shi, Zhen Tetrahedron, 2013 , vol. 69, # 35 p. 7264 - 7268
  • Route2
    • null|null
      31938-07-5
    • ~80%
    • In-stock
      3-Bromophenylacetic acid|CS-W004766
      1878-67-7

    References

    • Paillet-Loilier, Magalie; Fabis, Frederic; Lepailleur, Alban; Bureau, Ronan; Butt-Gueulle, Sabrina; Dauphin, Francois; Lesnard, Aurelien; Delarue, Catherine; Vaudry, Hubert; Rault, Sylvain Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 11 p. 3018 - 3022
  • Route3
    • null|null
      7023-79-2
    • ~%
    • In-stock
      3-Bromophenylacetic acid|CS-W004766
      1878-67-7

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 10, # 15 p. 1723 - 1727

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

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.0762
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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