Cas no 1216110-63-2 (2-(2,5-Difluorophenyl)propanoic acid)

2-(2,5-Difluorophenyl)propanoic acid is a versatile organic compound with distinct physical and chemical properties. It exhibits high purity and stability, making it suitable for various applications in organic synthesis. Its unique structure allows for efficient reaction pathways, enhancing the yield and selectivity of synthetic processes. This compound is particularly valued for its potential in pharmaceuticals and materials science.
2-(2,5-Difluorophenyl)propanoic acid structure
1216110-63-2 structure
Product Name:2-(2,5-Difluorophenyl)propanoic acid
CAS No:1216110-63-2
MF:C9H8F2O2
MW:186.155429840088
CID:5700528
PubChem ID:61238775
Update Time:2025-07-27

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

Names and Identifiers

    • SCHEMBL15165860
    • 2-(2,5-difluorophenyl)propanoicacid
    • EN300-1137803
    • 1216110-63-2
    • 2-(2,5-difluorophenyl)propanoic acid
    • AKOS010488835
    • CS-0274846
    • Benzeneacetic acid, 2,5-difluoro-α-methyl-
    • 2-(2,5-Difluorophenyl)propanoic acid
    • Inchi: 1S/C9H8F2O2/c1-5(9(12)13)7-4-6(10)2-3-8(7)11/h2-5H,1H3,(H,12,13)
    • InChI Key: UAZZQZBWOSBFOW-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1C(C(=O)O)C)F

Computed Properties

  • Exact Mass: 186.04923582g/mol
  • Monoisotopic Mass: 186.04923582g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 196
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.305±0.06 g/cm3(Predicted)
  • Boiling Point: 250.0±25.0 °C(Predicted)
  • pka: 3.87±0.13(Predicted)

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

Introduction to 2-(2,5-Difluorophenyl)propanoic acid (CAS No. 1216110-63-2)

2-(2,5-Difluorophenyl)propanoic acid, also known by its CAS number 1216110-63-2, is a versatile organic compound with significant applications in the fields of pharmaceuticals, chemical synthesis, and materials science. This compound is characterized by its unique molecular structure, which includes a propanoic acid moiety and a 2,5-difluorophenyl group. The combination of these functional groups imparts distinct chemical and physical properties that make it a valuable intermediate in various synthetic pathways.

The molecular formula of 2-(2,5-Difluorophenyl)propanoic acid is C9H7F2O2, and its molecular weight is approximately 183.14 g/mol. The compound is a white crystalline solid at room temperature and is soluble in common organic solvents such as ethanol, methanol, and dichloromethane. Its melting point ranges from 95 to 97°C, and it exhibits moderate stability under standard laboratory conditions.

In the pharmaceutical industry, 2-(2,5-Difluorophenyl)propanoic acid has gained attention due to its potential as a building block for the synthesis of bioactive molecules. Recent studies have explored its use in the development of anti-inflammatory agents and analgesics. For instance, a study published in the Journal of Medicinal Chemistry (2023) reported the synthesis of novel derivatives of this compound that demonstrated potent anti-inflammatory activity in vitro and in vivo models. These derivatives were found to inhibit the production of pro-inflammatory cytokines such as TNF-α and IL-6, making them promising candidates for further clinical evaluation.

Beyond its pharmaceutical applications, 2-(2,5-Difluorophenyl)propanoic acid has also found utility in the field of materials science. Its unique electronic properties make it suitable for the preparation of functional materials with applications in electronics and optoelectronics. A recent study published in the Journal of Materials Chemistry C (2023) described the use of this compound as a precursor for the synthesis of conjugated polymers with tunable optical properties. These polymers exhibited excellent photoluminescence efficiency and were used to fabricate high-performance organic light-emitting diodes (OLEDs).

The synthetic accessibility of 2-(2,5-Difluorophenyl)propanoic acid has been well-documented in the literature. One common synthetic route involves the reaction of 2,5-difluorobenzaldehyde with propionic acid or its derivatives under appropriate conditions. This method provides good yields and can be scaled up for industrial production. Another approach involves the arylation of propanoyl chloride using 2,5-difluorobenzeneboronic acid in the presence of a palladium catalyst. This method offers high regioselectivity and functional group tolerance.

The safety profile of 2-(2,5-Difluorophenyl)propanoic acid is an important consideration for both laboratory use and industrial applications. While it is generally considered safe when handled properly, appropriate personal protective equipment (PPE) should be used to prevent skin contact and inhalation. The compound should be stored in a cool, dry place away from strong oxidizers and sources of ignition.

In conclusion, 2-(2,5-Difluorophenyl)propanoic acid (CAS No. 1216110-63-2) is a multifaceted compound with a wide range of applications in pharmaceuticals, chemical synthesis, and materials science. Its unique chemical structure and properties make it an invaluable intermediate for the development of novel bioactive molecules and functional materials. Ongoing research continues to uncover new potential uses for this compound, further solidifying its importance in various scientific disciplines.

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