Cas no 2090954-33-7 (3,3-difluoro-2,2-dimethylpentanoic acid)

3,3-Difluoro-2,2-dimethylpentanoic acid is a fluorinated carboxylic acid characterized by its unique structural features, including a difluoro-substituted carbon and two methyl groups at the alpha position. This compound is of interest in synthetic and medicinal chemistry due to the electron-withdrawing effects of the fluorine atoms, which can enhance reactivity and stability in intermediate synthesis. The steric hindrance from the dimethyl groups may influence selectivity in reactions. Its applications include serving as a building block for pharmaceuticals, agrochemicals, or specialty materials, where fluorinated motifs are desirable for tuning physicochemical properties. The compound’s purity and well-defined structure make it suitable for precise synthetic applications.
3,3-difluoro-2,2-dimethylpentanoic acid structure
2090954-33-7 structure
Product Name:3,3-difluoro-2,2-dimethylpentanoic acid
CAS No:2090954-33-7
MF:C7H12F2O2
MW:166.165789604187
MDL:MFCD30631641
CID:4636847
PubChem ID:21652959
Update Time:2025-10-28

3,3-difluoro-2,2-dimethylpentanoic acid Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid, 3,3-difluoro-2,2-dimethyl-
    • 3,3-difluoro-2,2-dimethylpentanoic acid
    • MDL: MFCD30631641
    • Inchi: 1S/C7H12F2O2/c1-4-7(8,9)6(2,3)5(10)11/h4H2,1-3H3,(H,10,11)
    • InChI Key: CCFJMGVBSZFNHW-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C(C)(C)C(F)(F)CC

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Additional information on 3,3-difluoro-2,2-dimethylpentanoic acid

3,3-Difluoro-2,2-dimethylpentanoic Acid (CAS No. 2090954-33-7): Properties, Applications, and Market Insights

3,3-Difluoro-2,2-dimethylpentanoic acid (CAS No. 2090954-33-7) is a fluorinated carboxylic acid derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its unique difluoro-dimethyl substitution pattern, offers remarkable chemical stability and reactivity, making it a valuable intermediate in synthetic chemistry. The presence of fluorine atoms enhances its lipophilicity and metabolic stability, traits highly sought after in drug discovery.

The molecular structure of 3,3-difluoro-2,2-dimethylpentanoic acid features a pentanoic acid backbone with two fluorine atoms at the 3-position and two methyl groups at the 2-position. This configuration not only influences its physical properties—such as melting point and solubility—but also its reactivity in nucleophilic substitution and condensation reactions. Researchers often explore its use in the synthesis of fluorinated bioactive molecules, a trending topic in medicinal chemistry due to the growing demand for compounds with improved pharmacokinetic profiles.

In recent years, the application of 3,3-difluoro-2,2-dimethylpentanoic acid has expanded into the development of small-molecule inhibitors and protease inhibitors, aligning with the surge in interest around targeted therapies for diseases like cancer and viral infections. Its ability to act as a building block for fluorinated analogs of known drugs has positioned it as a key player in the quest for next-generation therapeutics. This trend is further amplified by the rise of AI-driven drug discovery, where fluorinated compounds are frequently flagged for their potential.

From an industrial perspective, the demand for 3,3-difluoro-2,2-dimethylpentanoic acid is closely tied to advancements in green chemistry and sustainable synthesis methods. Companies are increasingly investing in eco-friendly fluorination techniques to meet regulatory standards and reduce environmental impact. This compound’s compatibility with catalytic fluorination processes makes it a candidate for scalable production, addressing the global push for sustainable chemical manufacturing.

Market analysts highlight the growing role of 3,3-difluoro-2,2-dimethylpentanoic acid in the pharmaceutical intermediates sector, with projections indicating steady growth due to its versatility. The compound’s applications extend to agrochemicals, where fluorinated molecules are prized for their pest-resistant properties. As the agriculture industry seeks solutions to climate-resistant crops, derivatives of this acid could play a pivotal role in formulating next-gen crop protection agents.

For researchers and procurement specialists, understanding the synthetic routes to 3,3-difluoro-2,2-dimethylpentanoic acid is critical. Common methods involve the fluorination of precursor ketones or the hydrolysis of fluorinated esters. Recent publications have explored enzymatic approaches to its synthesis, tapping into the biocatalysis trend that dominates modern organic chemistry discussions. These innovations align with the broader industry shift toward enzyme-mediated transformations as a cost-effective and selective alternative to traditional methods.

Storage and handling of 3,3-difluoro-2,2-dimethylpentanoic acid require standard precautions for carboxylic acids, including moisture-free environments and inert atmospheres to prevent degradation. Its stability under ambient conditions makes it a practical choice for industrial applications, though users should consult safety data sheets for specific guidelines. This practicality contributes to its appeal in high-throughput screening libraries, where stable, modular building blocks are essential.

Looking ahead, the trajectory for 3,3-difluoro-2,2-dimethylpentanoic acid appears robust, driven by interdisciplinary demand. Whether in the design of fluorinated peptidomimetics or as a template for metal-organic frameworks (MOFs), its utility spans multiple cutting-edge fields. As synthetic methodologies evolve and the emphasis on structural diversity in drug discovery intensifies, this compound is poised to remain a staple in the chemist’s toolkit.

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