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CS-W001157 4
Total: USD 88.00

3-Fluoro-4-methoxybenzoic acid

  • CAS No. 403-20-3

  • Cat. No. CS-W017706
  • Purity≥98%
  • MDL No.MFCD00060675

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

3-Fluoro-4-methoxybenzoic acid|CS-W017706

Structure of 403-20-3

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General Information

  • CAS No. 403-20-3
  • Cat. No. CS-W017706
  • Purity ≥98%
  • MDL No. MFCD00060675
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₃
  • Molecular Weight 170.14
  • Synonym(s) 3-Fluoro-p-anisic Acid
  • SMILES O=C(O)C1=CC=C(OC)C(F)=C1

Description

3-Fluoro-4-methoxybenzoic acid features a strategically positioned fluorine atom and methoxy group on the aromatic ring, enhancing electronic modulation and solubility. This combination enables efficient integration into pharmaceutical intermediates and bioactive scaffolds under standard conditions.

Application

3-Fluoro-4-methoxybenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive molecules through established coupling and functionalization reactions. Its ortho-fluoro and para-methoxy substituents provide enhanced metabolic stability and modulate electronic properties, while the carboxylic acid group facilitates direct amidation, esterification, or Suzuki-Miyaura coupling. The compound exhibits excellent bench stability and is readily purified by recrystallization, making it well-suited for scalable synthesis workflows.

Synthesis

  • Route1

    References

    • CENTAURUS BIOPHARMA CO., LTD.; XIAO, Dengming; ZHU, Li; HU, Yuandong; YU, Rong; HU, Wei; ZHAO, Na; PENG, Yong; LUO, Hong; HAN, Yongxin Patent: WO2013/97773 A1, 2013 ; Location in patent: Paragraph 0172 ;
  • Route2

    References

    • EXELIXIS, INC. Patent: WO2009/55077 A1, 2009 ; Location in patent: Page/Page column 371 ;
  • Route3
    • null|null
      124-38-9
    • In-stock
      4-Bromo-2-fluoroanisole|CS-D0985
      2357-52-0
    • ~72%
    • In-stock
      3-Fluoro-4-methoxybenzoic acid|CS-W017706
      403-20-3

    References

    • Ziobro, Dorota; Dziaduszek, Jerzy; Filipowicz, Marek; Dabrowski, Roman; Czu, Joanna; Urban, Stanislaw Molecular Crystals and Liquid Crystals, 2009 , vol. 502, p. 258 - 271

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-P304+P340-P362+P364-P405-P501

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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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