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2-Fluoro-6-methylbenzoic acid

  • CAS No. 90259-27-1

  • Cat. No. CS-W004739
  • Purity≥97%
  • MDL No.MFCD06658162

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

2-Fluoro-6-methylbenzoic acid|CS-W004739

Structure of 90259-27-1

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General Information

  • CAS No. 90259-27-1
  • Cat. No. CS-W004739
  • Purity ≥97%
  • MDL No. MFCD06658162
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₂
  • Molecular Weight 154.14
  • Synonym(s) Benzoic acid, 2-fluoro-6-methyl-
  • SMILES FC1=C(C(=O)O)C(=CC=C1)C

Description

2-Fluoro-6-methylbenzoic acid features a strategically positioned fluorine atom and methyl group on the aromatic ring, enabling enhanced metabolic stability and targeted electronic effects. This ortho-substituted benzoic acid serves as a key building block in medicinal chemistry, facilitating the development of bioactive compounds through its ability to modulate lipophilicity and influence binding affinity in drug candidates.

Application

2-Fluoro-6-methylbenzoic acid serves as a valuable building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-fluoro and meta-methyl substituents provide enhanced metabolic stability and modulated electronic properties, facilitating direct coupling reactions and functionalization. The carboxylic acid group offers straightforward derivatization for amides, esters, and acyl chlorides, supporting diverse downstream transformations. Bench-stable and readily purified by recrystallization, it functions reliably in standard synthetic workflows.

Synthesis

  • Route1
    • 2-(2-Fluoro-6-methylphenyl)-4,4-dimethyl-4,5-dihydrooxazole|CS-1356902
      197516-56-6
    • ~%
    • In-stock
      2-Fluoro-6-methylbenzoic acid|CS-W004739
      90259-27-1

    References

    • WO2005/28445 A2, ; Page/Page column 31-32 ; WO 2005/028445 A2

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   1.83232
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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