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CS-W001157 4
Total: USD 88.00

4-Bromo-3-fluorophenylacetic acid

  • CAS No. 942282-40-8

  • Cat. No. CS-W003835
  • Purity≥98%
  • MDL No.MFCD12756200

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

4-Bromo-3-fluorophenylacetic acid|CS-W003835

Structure of 942282-40-8

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General Information

  • CAS No. 942282-40-8
  • Cat. No. CS-W003835
  • Purity ≥98%
  • MDL No. MFCD12756200
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrFO₂
  • Molecular Weight 233.04
  • Synonym(s) benzeneacetic acid, 4-bromo-3-fluoro-
  • SMILES BrC1=C(F)C=C(CC(O)=O)C=C1

Description

4-Bromo-3-fluorophenylacetic acid features a strategically positioned bromine and fluorine substituent on the phenyl ring, enhancing electronic modulation and metabolic stability. This ortho-halogenated scaffold integrates readily into pharmaceutical intermediates, enabling efficient coupling reactions in medicinal chemistry workflows under standard conditions.

Application

4-Bromo-3-fluorophenylacetic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient construction of biologically active heterocycles. Its ortho-halogenated aromatic core facilitates palladium-catalyzed cross-coupling reactions, while the carboxylic acid group supports direct derivatization or incorporation into peptide-like scaffolds. The compound exhibits excellent bench stability and compatibility with standard purification methods, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • WO2007/69986 A1, ; Page/Page column 92-93 ; WO 2007/069986 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
Precautionary Statements : P264-P270-P301+P310-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.2153
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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