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CS-W001157 4
Total: USD 88.00

4-Fluoro-2-methoxybenzoic acid

  • CAS No. 395-82-4

  • Cat. No. CS-W002664
  • Purity≥95%
  • MDL No.MFCD00673010

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

4-Fluoro-2-methoxybenzoic acid|CS-W002664

Structure of 395-82-4

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General Information

  • CAS No. 395-82-4
  • Cat. No. CS-W002664
  • Purity ≥95%
  • MDL No. MFCD00673010
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₃
  • Molecular Weight 170.14
  • Synonym(s) 4-Fluoro-o-anisic Acid
  • SMILES COc1cc(F)ccc1C(=O)O

Description

4-Fluoro-2-methoxybenzoic acid features a strategically positioned fluorine atom and methoxy group that enhance electronic effects and metabolic stability. This ortho-substituted benzoic acid derivative integrates readily into pharmaceutical scaffolds, offering improved solubility and targeted reactivity in synthetic transformations.

Application

4-Fluoro-2-methoxybenzoic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into bioactive scaffolds via standard esterification, amide coupling, or Suzuki-Miyaura cross-coupling reactions. Its ortho-methoxy and meta-fluoro substituents provide enhanced metabolic stability and modulate electronic properties for target engagement. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step syntheses of pharmaceutical intermediates and functionalized heterocycles.

Synthesis

  • Route1

    References

    • Ferranti; Garuti; Giovanninetti; Borgatti; Bartoletti Archiv der Pharmazie, 1985 , vol. 318, # 1 p. 78 - 84
  • Route2

    References

    • Ferranti; Garuti; Giovanninetti; Borgatti; Bartoletti Archiv der Pharmazie, 1985 , vol. 318, # 1 p. 78 - 84
  • Route3

    References

    • Hodgson; Nixon Journal of the Chemical Society, 1929 , p. 1639

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.5325
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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