Cas no 130408-15-0 (3-(2,5-Difluorophenyl)propanoic acid)

3-(2,5-Difluorophenyl)propanoic acid is a fluorinated aromatic carboxylic acid derivative with applications in pharmaceutical and agrochemical research. Its structure, featuring a difluorophenyl group and a propanoic acid side chain, makes it a valuable intermediate in the synthesis of bioactive compounds. The presence of fluorine atoms enhances metabolic stability and binding affinity in target molecules, contributing to improved pharmacokinetic properties. This compound is particularly useful in medicinal chemistry for the development of enzyme inhibitors and receptor modulators. High purity and consistent quality ensure reliable performance in synthetic workflows. Its compatibility with various coupling reactions further underscores its utility in complex organic transformations.
3-(2,5-Difluorophenyl)propanoic acid structure
130408-15-0 structure
Product Name:3-(2,5-Difluorophenyl)propanoic acid
CAS No:130408-15-0
MF:C9H8F2O2
MW:186.155429840088
MDL:MFCD04116053
CID:859222
Update Time:2025-06-09

3-(2,5-Difluorophenyl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(2,5-Difluorophenyl)propanoic acid
    • 2,5-difluoroBenzenepropanoic acid
    • 3-(2,5-DIFLUOROPHENYL)PROPIONIC ACID
    • 3-(2,5-difluorophenyl)-propionic acid
    • AC1LBEXR
    • AC1Q757R
    • Benzenepropanoic acid, 2,5-difluoro-
    • CTK7J3021
    • SBB090379
    • SureCN1478187
    • 2,5-Difluoro-benzenepropanoic acid
    • 3-(2,5-Difluorophenyl)propionic acid, 2,5-Difluorohydrocinnamic acid
    • MDL: MFCD04116053
    • Inchi: 1S/C9H8F2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h2-3,5H,1,4H2,(H,12,13)
    • InChI Key: DURXQDAFKSWAES-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1CCC(=O)O)F

Computed Properties

  • Exact Mass: 186.04924
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3

Experimental Properties

  • PSA: 37.3

3-(2,5-Difluorophenyl)propanoic acid Security Information

  • Hazardous Material Identification: Xi

3-(2,5-Difluorophenyl)propanoic acid Pricemore >>

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Additional information on 3-(2,5-Difluorophenyl)propanoic acid

Introduction to 3-(2,5-Difluorophenyl)propanoic acid (CAS No. 130408-15-0)

3-(2,5-Difluorophenyl)propanoic acid, with the CAS number 130408-15-0, is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound is characterized by its unique molecular structure, which includes a propanoic acid moiety and a 2,5-difluorophenyl substituent. These structural features contribute to its potential applications in various therapeutic areas, particularly in the development of novel drugs and bioactive molecules.

The chemical formula of 3-(2,5-Difluorophenyl)propanoic acid is C9H7F2O2, and it has a molecular weight of approximately 186.14 g/mol. The compound is a white crystalline solid at room temperature and is soluble in common organic solvents such as methanol, ethanol, and dimethyl sulfoxide (DMSO). Its physical and chemical properties make it suitable for use in a wide range of laboratory and industrial applications.

In recent years, the study of 3-(2,5-Difluorophenyl)propanoic acid has been driven by its potential as a building block for the synthesis of more complex molecules. Researchers have explored its use in the development of new pharmaceuticals, particularly those targeting specific biological pathways. For instance, a study published in the Journal of Medicinal Chemistry highlighted the compound's role in the synthesis of potent inhibitors of protein kinases, which are key enzymes involved in cell signaling and regulation.

The biological activity of 3-(2,5-Difluorophenyl)propanoic acid has also been investigated in various preclinical studies. One notable study demonstrated its anti-inflammatory properties by inhibiting the production of pro-inflammatory cytokines such as interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-α). These findings suggest that the compound could be a valuable candidate for the treatment of inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease.

Beyond its therapeutic applications, 3-(2,5-Difluorophenyl)propanoic acid has also been studied for its potential use in materials science. Its unique chemical structure makes it an attractive candidate for the development of functional materials with enhanced properties. For example, researchers have explored its use in the synthesis of polymer-based materials with improved mechanical strength and thermal stability.

In terms of safety and handling, 3-(2,5-Difluorophenyl)propanoic acid should be handled with care to avoid exposure to skin and eyes. It is recommended to use appropriate personal protective equipment (PPE) such as gloves and safety goggles when working with this compound. Additionally, it should be stored in a cool, dry place away from direct sunlight and incompatible materials.

The synthesis of 3-(2,5-Difluorophenyl)propanoic acid can be achieved through several methods. One common approach involves the reaction of 2,5-difluorobenzaldehyde with malonic acid followed by decarboxylation. Another method involves the coupling reaction between 2,5-difluorobenzyl bromide and propionic acid using palladium-catalyzed cross-coupling reactions. These synthetic routes provide chemists with flexible options to produce high-purity samples for further research and development.

The market demand for 3-(2,5-Difluorophenyl)propanoic acid is expected to grow due to its diverse applications in pharmaceuticals, materials science, and other industries. Key players in the market are investing heavily in research and development to discover new uses for this compound and to optimize its production processes. This trend is likely to drive further innovation and expand the scope of applications for 3-(2,5-Difluorophenyl)propanoic acid.

In conclusion, 3-(2,5-Difluorophenyl)propanoic acid (CAS No. 130408-15-0) is a promising compound with a wide range of potential applications in medicinal chemistry, pharmaceutical research, and materials science. Its unique chemical structure and biological activity make it an attractive candidate for further investigation and development. As research continues to uncover new properties and uses for this compound, it is likely to play an increasingly important role in various scientific and industrial fields.

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