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CS-W001157 4
Total: USD 88.00

3-(4-Fluorophenyl)propanoic acid

  • CAS No. 459-31-4

  • Cat. No. CS-0072209
  • Molecule weight168.17
  • Purity≥97%
  • MDL No.MFCD00060327

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

3-(4-Fluorophenyl)propanoic acid|CS-0072209

Structure of 459-31-4

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General Information

  • CAS No. 459-31-4
  • Cat. No. CS-0072209
  • Purity ≥97%
  • MDL No. MFCD00060327
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉FO₂
  • Molecular Weight 168.17
  • Synonym(s) None
  • SMILES O=C(O)CCC1=CC=C(F)C=C1

Description

3-(4-Fluorophenyl)propanoic acid is a fluorinated aromatic carboxylic acid featuring a conjugated phenyl-propionic acid scaffold. This compound serves as a key building block in medicinal chemistry, integrating readily into bioactive molecules through amide or ester linkages. The para-fluoro substitution enhances metabolic stability and modulates electronic properties, improving target affinity. Its bench-stable nature supports reliable handling in synthetic workflows.

Application

3-(4-Fluorophenyl)propanoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive molecules through standard functional group transformations. Its fluorinated aryl moiety enhances metabolic stability and membrane permeability, while the carboxylic acid group facilitates coupling reactions, esterification, and amide formation. The compound exhibits excellent bench stability and is compatible with common purification methods, making it a reliable intermediate for API development and heterocycle construction.

Synthesis

  • Route1

    References

    • Quinn, John F.; Razzano, Dana A.; Golden, Kathryn C.; Gregg, Brian T. Tetrahedron Letters, 2008 , vol. 49, # 42 p. 6137 - 6140
  • Route2
    • null|null
      3984-22-3
    • null|null
      460-00-4
    • ~79%
    • In-stock
      3-(4-Fluorophenyl)propanoic acid|CS-0072209
      459-31-4

    References

    • Lemhadri, Mhamed; Doucet, Henri; Santelli, Maurice Tetrahedron, 2004 , vol. 60, # 50 p. 11533 - 11540
  • Route3

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2005/48932 A2, 2005 ; Location in patent: Page/Page column 221 ; WO 2005/048932 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

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.8429
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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