Cas no 704-36-9 (Ethanone,2,2-difluoro-1-(4-methylphenyl)-)

Ethanone,2,2-difluoro-1-(4-methylphenyl)- is a fluorinated aromatic ketone characterized by the presence of two fluorine atoms adjacent to the carbonyl group and a para-methyl substituent on the phenyl ring. This structural configuration enhances its reactivity and stability, making it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The difluoro substitution adjacent to the carbonyl group can influence electronic properties, potentially improving selectivity in reactions such as nucleophilic additions or cross-coupling processes. Its well-defined molecular structure ensures consistent performance in synthetic applications, while the methyl group offers additional versatility for further functionalization.
Ethanone,2,2-difluoro-1-(4-methylphenyl)- structure
704-36-9 structure
Product Name:Ethanone,2,2-difluoro-1-(4-methylphenyl)-
CAS No:704-36-9
MF:C9H8F2O
MW:170.156029701233
CID:564797
PubChem ID:285383
Update Time:2025-06-14

Ethanone,2,2-difluoro-1-(4-methylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • Ethanone,2,2-difluoro-1-(4-methylphenyl)-
    • 2,2-difluoro-1-(4-methylphenyl)ethanone
    • Ethanone, 2,2-difluoro-1-(4-methylphenyl)- (9CI)
    • 2,2-Difluoro-1-(p-tolyl)ethanone
    • 2,2-Difluoro-1-p-tolyl-ethanone
    • 704-36-9
    • AKOS026736351
    • DTXSID40301301
    • EN300-328740
    • SCHEMBL9732502
    • NSC-142248
    • NSC142248
    • CS-0281149
    • 2,2-difluoro-1-(p-tolyl)ethan-1-one
    • MFCD16618098
    • 2,2-difluoro-1-(4-methylphenyl)ethan-1-one
    • Inchi: 1S/C9H8F2O/c1-6-2-4-7(5-3-6)8(12)9(10)11/h2-5,9H,1H3
    • InChI Key: RKOAJRSRPAQUFF-UHFFFAOYSA-N
    • SMILES: FC(C(C1C=CC(C)=CC=1)=O)F

Computed Properties

  • Exact Mass: 170.05434
  • Monoisotopic Mass: 170.054
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 160
  • 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
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.145
  • Boiling Point: 223.3°C at 760 mmHg
  • Flash Point: 84.1°C
  • Refractive Index: 1.469
  • PSA: 17.07
  • LogP: 2.44280

Ethanone,2,2-difluoro-1-(4-methylphenyl)- Pricemore >>

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Additional information on Ethanone,2,2-difluoro-1-(4-methylphenyl)-

Research Brief on Ethanone,2,2-difluoro-1-(4-methylphenyl)- (CAS: 704-36-9): Recent Advances and Applications

Ethanone,2,2-difluoro-1-(4-methylphenyl)- (CAS: 704-36-9) is a fluorinated aromatic ketone that has garnered significant attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its unique difluoro and methylphenyl substituents, has shown promising potential in various applications, including drug synthesis, material science, and agrochemical development. Recent studies have focused on its synthetic pathways, biological activities, and potential therapeutic uses, making it a compound of interest for researchers aiming to explore novel chemical entities with diverse functionalities.

One of the key areas of research involving Ethanone,2,2-difluoro-1-(4-methylphenyl)- is its role as an intermediate in the synthesis of biologically active molecules. A study published in the Journal of Medicinal Chemistry (2023) highlighted its utility in the development of fluorinated analogs of known pharmaceuticals, which often exhibit enhanced metabolic stability and bioavailability. The difluoro moiety in particular has been shown to improve the pharmacokinetic properties of drug candidates, making this compound a valuable building block in medicinal chemistry.

In addition to its pharmaceutical applications, recent investigations have explored the material science potential of Ethanone,2,2-difluoro-1-(4-methylphenyl)-. Research conducted at the University of Tokyo (2024) demonstrated its use in the synthesis of fluorinated polymers with exceptional thermal stability and chemical resistance. These polymers are being evaluated for applications in high-performance coatings and electronic materials, where their unique properties could offer significant advantages over traditional materials.

Another notable development is the exploration of Ethanone,2,2-difluoro-1-(4-methylphenyl)- in agrochemical research. A 2023 study published in Pest Management Science reported that derivatives of this compound exhibit potent herbicidal and fungicidal activities. The incorporation of the difluoro group was found to enhance the binding affinity of these derivatives to target enzymes in pests, suggesting a promising avenue for the development of next-generation agrochemicals with improved efficacy and environmental safety profiles.

Despite these advancements, challenges remain in the large-scale synthesis and purification of Ethanone,2,2-difluoro-1-(4-methylphenyl)-. Recent efforts have focused on optimizing synthetic routes to improve yield and reduce byproduct formation. A 2024 paper in Organic Process Research & Development detailed a novel catalytic method that significantly enhances the efficiency of its production, paving the way for broader industrial adoption.

In conclusion, Ethanone,2,2-difluoro-1-(4-methylphenyl)- (CAS: 704-36-9) continues to be a compound of significant interest across multiple scientific disciplines. Its versatile applications in pharmaceuticals, materials science, and agrochemicals underscore its importance as a key intermediate and functional molecule. Ongoing research aims to further elucidate its potential and address existing challenges, ensuring its continued relevance in the evolving landscape of chemical and biological sciences.

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