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CS-W001157 4
Total: USD 88.00

3-(3,5-Difluorophenyl)propionic acid

  • CAS No. 84315-24-2

  • Cat. No. CS-W016917
  • Purity≥98%
  • MDL No.MFCD04116054

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

3-(3,5-Difluorophenyl)propionic acid|CS-W016917

Structure of 84315-24-2

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General Information

  • CAS No. 84315-24-2
  • Cat. No. CS-W016917
  • Purity ≥98%
  • MDL No. MFCD04116054
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₂O₂
  • Molecular Weight 186.16
  • Synonym(s) Benzenepropanoic acid, 3,5-difluoro-
  • SMILES O=C(O)CCC1=CC(F)=CC(F)=C1

Description

3-(3,5-Difluorophenyl)propionic acid features a trifluorinated aromatic core linked to a propionic acid chain, delivering enhanced metabolic stability and lipophilic character. This structural motif integrates readily into bioactive scaffolds, particularly in CNS-targeted therapeutics and kinase inhibitors. The electron-deficient phenyl ring improves binding affinity through favorable π-stacking interactions, while the carboxylic acid group enables direct conjugation or salt formation for improved solubility and handling.

Application

3-(3,5-Difluorophenyl)propionic acid serves as a valuable building block in medicinal chemistry, enabling the synthesis of bioactive molecules through standard functional group transformations. Its fluorinated aryl moiety enhances metabolic stability and modulates lipophilicity, while the carboxylic acid functionality facilitates coupling reactions, esterification, and amide formation. The compound exhibits good bench stability and is compatible with common purification techniques, making it a practical choice for iterative synthetic workflows.

Synthesis

  • Route1

    References

    • SCHERING CORPORATION; PHARMACOPEIA DRUG DISCOVERY, INC Patent: WO2005/16876 A2, 2005 ; Location in patent: Page/Page column 31-32 ; WO 2005/016876 A2
  • Route2

    References

    • Tetrahedron, , vol. 63, # 2 p. 389 - 395
  • Route3
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      461-96-1
    • ~%
    • In-stock
      3-(3,5-Difluorophenyl)propionic acid|CS-W016917
      84315-24-2

    References

    • Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 10 p. 2403 - 2406

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.982
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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