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CS-W001157 4
Total: USD 88.00

4-Fluoro-2-methylbenzoic acid

  • CAS No. 321-21-1

  • Cat. No. CS-0020153
  • Purity≥98%
  • MDL No.MFCD04115880

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

4-Fluoro-2-methylbenzoic acid|CS-0020153

Structure of 321-21-1

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General Information

  • CAS No. 321-21-1
  • Cat. No. CS-0020153
  • Purity ≥98%
  • MDL No. MFCD04115880
  • 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, 4-fluoro-2-methyl-
  • SMILES O=C(O)C1=CC=C(F)C=C1C

Description

4-Fluoro-2-methylbenzoic acid features a strategically positioned fluorine atom and methyl group on the aromatic ring, enhancing electron-withdrawing character and metabolic stability. This configuration supports efficient coupling reactions in medicinal chemistry, particularly in scaffold diversification for bioactive molecule synthesis under standard conditions.

Application

4-Fluoro-2-methylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-methyl and meta-fluoro substituents provide enhanced metabolic stability and modulate electronic properties, while the carboxylic acid group facilitates direct coupling reactions or derivatization. Bench-stable and readily purified by recrystallization, it functions reliably in standard amide, ester, and acyl transfer protocols.

Synthesis

  • Route1
    • null|null
      452-63-1
    • null|null
      124-38-9
    • ~61%
    • In-stock
      4-Fluoro-2-methylbenzoic acid|CS-0020153
      321-21-1

    References

    • BAYER PHARMACEUTICALS CORPORATION Patent: WO2004/50650 A1, 2004 ; Location in patent: Page 28 ;
  • Route2
    • null|null
      452-63-1
    • ~%
    • In-stock
      4-Fluoro-2-methylbenzoic acid|CS-0020153
      321-21-1

    References

    • US6342504 B1, ; Page column 118 ; US 6342504 B1
  • Route3

    References

    • WO2006/20879 A1, ; Page/Page column 56-57 ; WO 2006/020879 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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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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