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CS-W001157 4
Total: USD 88.00

3-Fluoro-5-methylbenzoic acid

  • CAS No. 518070-19-4

  • Cat. No. CS-W003001
  • Purity≥98%
  • MDL No.MFCD03094313

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

3-Fluoro-5-methylbenzoic acid|CS-W003001

Structure of 518070-19-4

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General Information

  • CAS No. 518070-19-4
  • Cat. No. CS-W003001
  • Purity ≥98%
  • MDL No. MFCD03094313
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₂
  • Molecular Weight 154.14
  • Synonym(s) 3-fluoro-2-(1,2,4-oxadiazol-3-yl)aniline
  • SMILES Cc1cc(F)cc(c1)C(=O)O

Description

3-Fluoro-5-methylbenzoic acid features a strategically positioned fluorine atom and methyl group on the aromatic ring, enhancing electron-withdrawing character and metabolic stability. This substitution pattern supports direct incorporation into bioactive scaffolds, enabling efficient derivatization in medicinal chemistry campaigns under standard conditions.

Application

3-Fluoro-5-methylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive compounds through standard esterification, amide coupling, and Suzuki-Miyaura cross-coupling reactions. Its ortho-fluoro and meta-methyl substituents provide predictable electronic modulation and enhanced metabolic stability, while its bench-stable solid form facilitates straightforward handling and purification in routine synthetic workflows.

Synthesis

  • Route1

    References

    • ASTRA ZENECA AB; NPS PHARMACEUTICALS, INC. Patent: WO2004/14881 A2, 2004 ; Location in patent: Page 100-101 ; WO 2004/014881 A2
  • Route2
    • In-stock
      1-Fluoro-3-iodo-5-methylbenzene|CS-W012881
      491862-84-1
    • null|null
      590-29-4
    • ~88%
    • In-stock
      3-Fluoro-5-methylbenzoic acid|CS-W003001
      518070-19-4

    References

    • Korsager, Signe; Taaning, Rolf H.; Skrydstrup, Troels Journal of the American Chemical Society, 2013 , vol. 135, # 8 p. 2891 - 2894

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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