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CS-W001157 4
Total: USD 88.00

2-(4-Bromo-2,6-difluorophenyl)acetic acid

  • CAS No. 537033-54-8

  • Cat. No. CS-0060185
  • Purity≥97%
  • MDL No.None

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

2-(4-Bromo-2,6-difluorophenyl)acetic acid|CS-0060185

Structure of 537033-54-8

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General Information

  • CAS No. 537033-54-8
  • Cat. No. CS-0060185
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrF₂O₂
  • Molecular Weight 251.02
  • Synonym(s) 4-Bromo-2,6-difluorophenylaceticacid
  • SMILES C1=C(C=C(C(=C1F)CC(=O)O)F)Br

Description

This acetic acid derivative features a 4-bromo-2,6-difluorophenyl moiety that imparts enhanced electronic and steric control. The ortho-fluorine substituents improve metabolic stability, while the bromine enables facile cross-coupling transformations. The carboxylic acid group facilitates direct conjugation or derivatization under standard conditions. This structure serves as a key intermediate in the synthesis of bioactive molecules requiring halogenated aromatic frameworks.

Application

2-(4-Bromo-2,6-difluorophenyl)acetic acid serves as a versatile building block for pharmaceutical intermediates, enabling efficient construction of bioactive heterocycles and substituted aryl scaffolds. Its bromo and difluoro substituents provide orthogonal reactivity for palladium-catalyzed cross-coupling and enhanced metabolic stability. The carboxylic acid group facilitates direct derivatization or salt formation, offering improved solubility and purification advantages in synthetic workflows.

Synthesis

  • Route1
    • null|null
      1426050-43-2
    • ~41%
    • In-stock
      2-(4-Bromo-2,6-difluorophenyl)acetic acid|CS-0060185
      537033-54-8

    References

    • WO2013/28447 A1, ; Page/Page column 96 ;
  • Route2

    References

    • WO2005/123698 A1, ; Page/Page column 78 ;
  • Route3

    References

    • WO2013/28447 A1, ;

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   2.3544
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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