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CS-W001157 4
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5-Fluoro-2-methoxybenzoic acid

  • CAS No. 394-04-7

  • Cat. No. CS-W017705
  • Purity≥98%
  • MDL No.MFCD00671765

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

5-Fluoro-2-methoxybenzoic acid|CS-W017705

Structure of 394-04-7

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General Information

  • CAS No. 394-04-7
  • Cat. No. CS-W017705
  • Purity ≥98%
  • MDL No. MFCD00671765
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₃
  • Molecular Weight 170.14
  • Synonym(s) benzoic acid, 5-fluoro-2-methoxy-
  • SMILES O=C(O)C1=CC(F)=CC=C1OC

Description

5-Fluoro-2-methoxybenzoic acid features a fluorine atom at the meta position and a methoxy group at the ortho position relative to the carboxylic acid, creating a uniquely polarized aromatic scaffold. This combination enhances solubility in organic solvents while maintaining stability under standard bench conditions. The molecule integrates readily into synthetic routes requiring electron-deficient aryl building blocks, particularly in medicinal chemistry applications targeting kinase inhibitors and bioactive heterocycles.

Application

5-Fluoro-2-methoxybenzoic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into bioactive scaffolds via standard esterification, amide coupling, and Suzuki-Miyaura cross-coupling reactions. Its ortho-methoxy and meta-fluoro substituents provide enhanced electronic modulation and metabolic stability, while the carboxylic acid functionality ensures straightforward derivatization and purification. The compound exhibits excellent bench stability and functional group tolerance, facilitating efficient synthesis of targeted heterocycles and pharmaceutical intermediates.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352

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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