Cas no 94856-20-9 (1-(2,4-Dimethylphenyl)-4,4,4-trifluoro-1,3-butanedione)

1-(2,4-Dimethylphenyl)-4,4,4-trifluoro-1,3-butanedione is a fluorinated β-diketone compound characterized by its unique structural features, including a trifluoromethyl group and a substituted phenyl ring. This configuration enhances its reactivity and stability, making it valuable as an intermediate in organic synthesis, particularly in the preparation of heterocyclic compounds and metal chelates. The presence of electron-withdrawing trifluoromethyl and electron-donating methyl groups influences its electronic properties, facilitating selective reactions. Its high purity and well-defined molecular structure ensure consistent performance in applications such as pharmaceuticals, agrochemicals, and advanced material research. The compound’s thermal and chemical stability further supports its utility in demanding synthetic processes.
1-(2,4-Dimethylphenyl)-4,4,4-trifluoro-1,3-butanedione structure
94856-20-9 structure
Product Name:1-(2,4-Dimethylphenyl)-4,4,4-trifluoro-1,3-butanedione
CAS No:94856-20-9
MF:C12H11F3O2
MW:244.209754228592
CID:752077
PubChem ID:22456017
Update Time:2025-11-04

1-(2,4-Dimethylphenyl)-4,4,4-trifluoro-1,3-butanedione Chemical and Physical Properties

Names and Identifiers

    • 1,3-Butanedione, 1-(2,4-dimethylphenyl)-4,4,4-trifluoro-
    • 1-(2,4-dimethylphenyl)-4,4,4-trifluorobutane-1,3-dione
    • DTXSID30625725
    • F79938
    • DSEGNKJPZXXYBD-UHFFFAOYSA-N
    • 94856-20-9
    • 1-(2,4-Dimethylphenyl)-4,4,4-trifluoro-1,3-butanedione
    • SCHEMBL4588485
    • AKOS000210698
    • Inchi: 1S/C12H11F3O2/c1-7-3-4-9(8(2)5-7)10(16)6-11(17)12(13,14)15/h3-5H,6H2,1-2H3
    • InChI Key: DSEGNKJPZXXYBD-UHFFFAOYSA-N
    • SMILES: FC(C(CC(C1C=CC(C)=CC=1C)=O)=O)(F)F

Computed Properties

  • Exact Mass: 244.07111408g/mol
  • Monoisotopic Mass: 244.07111408g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 309
  • 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: 3.3
  • Topological Polar Surface Area: 34.1?2

1-(2,4-Dimethylphenyl)-4,4,4-trifluoro-1,3-butanedione Pricemore >>

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1-(2,4-Dimethylphenyl)-4,4,4-trifluoro-1,3-butanedione Related Literature

Additional information on 1-(2,4-Dimethylphenyl)-4,4,4-trifluoro-1,3-butanedione

Comprehensive Overview of 1-(2,4-Dimethylphenyl)-4,4,4-trifluoro-1,3-butanedione (CAS No. 94856-20-9)

1-(2,4-Dimethylphenyl)-4,4,4-trifluoro-1,3-butanedione, with the CAS number 94856-20-9, is a specialized organic compound that has garnered significant attention in the fields of pharmaceuticals, agrochemicals, and advanced material synthesis. This compound, characterized by its unique trifluoromethyl group and dimethylphenyl moiety, exhibits remarkable chemical properties that make it a valuable intermediate in various industrial applications. Its molecular structure, combining aromatic and fluorinated components, contributes to its versatility in synthetic chemistry.

In recent years, the demand for fluorinated organic compounds has surged due to their enhanced stability, bioavailability, and metabolic resistance. 1-(2,4-Dimethylphenyl)-4,4,4-trifluoro-1,3-butanedione aligns perfectly with this trend, as its trifluoro group imparts these desirable characteristics. Researchers and manufacturers are increasingly exploring its potential in drug discovery and crop protection, where fluorinated molecules are known to improve efficacy and reduce environmental impact.

The synthesis of CAS 94856-20-9 involves precise chemical reactions to ensure high purity and yield. Advanced techniques such as nuclear magnetic resonance (NMR) and high-performance liquid chromatography (HPLC) are employed to verify its structural integrity and purity. These quality control measures are critical for applications in pharmaceutical intermediates, where even minor impurities can affect the final product's performance.

One of the most discussed topics in the chemical industry today is the role of sustainable chemistry and green synthesis. 1-(2,4-Dimethylphenyl)-4,4,4-trifluoro-1,3-butanedione is no exception, as researchers are investigating eco-friendly methods for its production. Innovations such as catalytic fluorination and solvent-free reactions are being explored to minimize waste and energy consumption, aligning with global sustainability goals.

Another area of interest is the compound's potential in material science. Its unique structure makes it a candidate for developing advanced polymers and coatings with superior thermal and chemical resistance. Industries such as electronics and automotive are particularly keen on leveraging these properties to create next-generation materials.

For those searching for "CAS 94856-20-9 applications" or "1-(2,4-Dimethylphenyl)-4,4,4-trifluoro-1,3-butanedione synthesis," it's important to note that this compound is primarily used in research and development. Its patented processes and proprietary formulations are often protected by intellectual property laws, making it essential for users to collaborate with licensed suppliers and manufacturers.

In conclusion, 1-(2,4-Dimethylphenyl)-4,4,4-trifluoro-1,3-butanedione (CAS No. 94856-20-9) represents a fascinating intersection of chemistry, innovation, and sustainability. Its growing relevance in pharmaceuticals, agrochemicals, and material science underscores its importance in modern industrial applications. As research continues to uncover new possibilities, this compound is poised to play a pivotal role in shaping the future of chemical innovation.

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