Cas no 879904-44-6 (2-(3,5-Difluorophenyl)-2-methylpropanoic acid)

2-(3,5-Difluorophenyl)-2-methylpropanoic acid is a fluorinated aromatic carboxylic acid derivative characterized by its unique structural features, including a difluorophenyl group and a tertiary carbon center. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a building block for active ingredients. The presence of fluorine atoms enhances metabolic stability and bioavailability, while the sterically hindered carboxylic acid moiety offers selectivity in synthetic applications. Its well-defined purity and consistent quality make it suitable for use in method development, catalysis studies, and structure-activity relationship investigations. The compound is typically handled under standard laboratory conditions, with appropriate precautions for carboxylic acid derivatives.
2-(3,5-Difluorophenyl)-2-methylpropanoic acid structure
879904-44-6 structure
Product Name:2-(3,5-Difluorophenyl)-2-methylpropanoic acid
CAS No:879904-44-6
MF:C10H10F2O2
MW:200.182010173798
CID:2093082
PubChem ID:59658246
Update Time:2025-11-06

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

Names and Identifiers

    • 2-(3,5-Difluorophenyl)-2-methylpropanoic acid
    • AKOS010758105
    • AJWWDMCHVOGPHR-UHFFFAOYSA-N
    • EN300-1137914
    • 2-(3,5-difluorophenyl)-2-methylpropanoicacid
    • 879904-44-6
    • SCHEMBL12079275
    • MDL: MFCD11036912
    • Inchi: 1S/C10H10F2O2/c1-10(2,9(13)14)6-3-7(11)5-8(12)4-6/h3-5H,1-2H3,(H,13,14)
    • InChI Key: AJWWDMCHVOGPHR-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=C(C=1)C(C(=O)O)(C)C)F

Computed Properties

  • Exact Mass: 200.06488588g/mol
  • Monoisotopic Mass: 200.06488588g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 218
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 37.3?2

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

Introduction to 2-(3,5-Difluorophenyl)-2-methylpropanoic acid (CAS No. 879904-44-6)

2-(3,5-Difluorophenyl)-2-methylpropanoic acid (CAS No. 879904-44-6) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, also known as DFMPA, is characterized by its unique structural features, which include a difluorophenyl group and a methylpropanoic acid moiety. These structural elements contribute to its potential applications in various therapeutic areas, particularly in the development of novel drugs for the treatment of neurological disorders and cancer.

The chemical structure of DFMPA is composed of a central carbon atom bonded to a methyl group and a carboxylic acid group, with the difluorophenyl substituent attached to the adjacent carbon atom. This arrangement imparts specific physicochemical properties to the molecule, such as enhanced lipophilicity and metabolic stability. These properties are crucial for optimizing drug delivery and bioavailability, making DFMPA an attractive candidate for drug development.

In recent years, extensive research has been conducted to explore the biological activities and potential therapeutic applications of DFMPA. One of the key areas of interest is its role as a modulator of ion channels and receptors. Studies have shown that DFMPA can interact with various ion channels, including voltage-gated sodium channels (Nav) and transient receptor potential (TRP) channels. This interaction can lead to the modulation of neuronal excitability and pain signaling pathways, making it a promising candidate for the treatment of chronic pain conditions.

Beyond its potential in pain management, DFMPA has also been investigated for its anti-cancer properties. Research has demonstrated that this compound can induce apoptosis in cancer cells by disrupting mitochondrial function and activating caspase-dependent pathways. Additionally, DFMPA has shown selective cytotoxicity towards certain types of cancer cells, such as those derived from breast and colon cancers. These findings suggest that DFMPA could be developed into a novel therapeutic agent for cancer treatment.

The pharmacokinetic profile of DFMPA has been another focus of recent studies. In vitro and in vivo experiments have revealed that this compound exhibits favorable absorption, distribution, metabolism, and excretion (ADME) properties. It is rapidly absorbed following oral administration and demonstrates good tissue penetration, particularly into the brain and tumor tissues. Furthermore, DFMPA shows low plasma protein binding and minimal metabolism by cytochrome P450 enzymes, which reduces the risk of drug-drug interactions.

Clinical trials are currently underway to evaluate the safety and efficacy of DFMPA in human subjects. Preliminary results from phase I trials have indicated that the compound is well-tolerated at various dose levels, with no serious adverse effects reported. These findings are encouraging and pave the way for further clinical development.

In addition to its therapeutic applications, DFMPA has also been explored as a tool compound in basic research. Its ability to selectively modulate specific ion channels makes it a valuable tool for investigating the physiological roles of these channels in various biological processes. For example, studies using DFMPA have provided insights into the mechanisms underlying pain perception and neuronal plasticity.

The synthesis of 2-(3,5-Difluorophenyl)-2-methylpropanoic acid can be achieved through several synthetic routes. One common approach involves the reaction of 3,5-difluorobenzaldehyde with acetone followed by oxidation to form the carboxylic acid moiety. This method yields high purity products with good yields, making it suitable for large-scale production.

In conclusion, 2-(3,5-Difluorophenyl)-2-methylpropanoic acid (CAS No. 879904-44-6), or DFMPA strong>, is a promising compound with diverse applications in medicinal chemistry and pharmaceutical research. Its unique structural features and favorable pharmacological properties make it an attractive candidate for the development of novel therapeutics targeting neurological disorders and cancer. Ongoing research continues to uncover new aspects of its biological activities and potential clinical uses, highlighting its significance in modern drug discovery efforts.

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