Cas no 181828-02-4 (Ethanone,1-(2,5-dimethylphenyl)-2,2,2-trifluoro-)

Ethanone,1-(2,5-dimethylphenyl)-2,2,2-trifluoro- is a fluorinated aromatic ketone characterized by its trifluoromethyl and dimethylphenyl functional groups. This compound exhibits notable stability and reactivity due to the electron-withdrawing effects of the trifluoroacetyl group, making it valuable in synthetic organic chemistry, particularly in the preparation of pharmaceuticals and agrochemical intermediates. Its structural features enhance selectivity in electrophilic substitution reactions, while the dimethyl substitution on the phenyl ring contributes to steric control. The compound’s high purity and well-defined properties ensure consistent performance in research and industrial applications, such as catalyst development and fine chemical synthesis. Its compatibility with various reaction conditions further underscores its utility in advanced chemical processes.
Ethanone,1-(2,5-dimethylphenyl)-2,2,2-trifluoro- structure
181828-02-4 structure
Product Name:Ethanone,1-(2,5-dimethylphenyl)-2,2,2-trifluoro-
CAS No:181828-02-4
MF:C10H9F3O
MW:202.173073530197
MDL:MFCD01319985
CID:113728
PubChem ID:24726828
Update Time:2025-05-19

Ethanone,1-(2,5-dimethylphenyl)-2,2,2-trifluoro- Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-(2,5-dimethylphenyl)-2,2,2-trifluoro-
    • 1-(2,5-Dimethylphenyl)-2,2,2-trifluoroethanone
    • 2',5'-Dimethyl-2,2,2-trifluoroacetophenone
    • Ethanone, 1-(2,5-dimethylphenyl)-2,2,2-trifluoro- (9CI)
    • 1-(2,5-Dimethyl-phenyl)-2,2,2-trifluoro-ethanone
    • 1-(2,5-DIMETHYLPHENYL)-2,2,2-TRIFLUOROETHAN-1-ONE
    • DTXSID60645219
    • EN300-1936488
    • AKOS012260126
    • 181828-02-4
    • SCHEMBL20185980
    • AB08925
    • MFCD01319985
    • BFBOWVWCPWSAGW-UHFFFAOYSA-N
    • ETHANONE, 1-(2,5-DIMETHYLPHENYL)-2,2,2-TRIFLUORO-
    • DB-286924
    • MDL: MFCD01319985
    • Inchi: 1S/C10H9F3O/c1-6-3-4-7(2)8(5-6)9(14)10(11,12)13/h3-5H,1-2H3
    • InChI Key: BFBOWVWCPWSAGW-UHFFFAOYSA-N
    • SMILES: FC(C(C1C=C(C)C=CC=1C)=O)(F)F

Computed Properties

  • Exact Mass: 202.06057
  • Monoisotopic Mass: 202.06054939g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 222
  • 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: 3.5
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

Ethanone,1-(2,5-dimethylphenyl)-2,2,2-trifluoro- Pricemore >>

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Additional information on Ethanone,1-(2,5-dimethylphenyl)-2,2,2-trifluoro-

Ethanone, 1-(2,5-dimethylphenyl)-2,2,2-trifluoro- (CAS No. 181828-02-4): A Comprehensive Overview

Ethanone, 1-(2,5-dimethylphenyl)-2,2,2-trifluoro- (CAS No. 181828-02-4) is a versatile compound with significant applications in the pharmaceutical and chemical industries. This compound, also known as 1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanone, is characterized by its unique molecular structure and properties that make it a valuable component in various research and development processes.

The molecular formula of Ethanone, 1-(2,5-dimethylphenyl)-2,2,2-trifluoro- is C10H11F3O. Its molecular weight is approximately 196.19 g/mol. The compound features a trifluoromethyl group attached to a ketone moiety, which is further substituted with a 2,5-dimethylphenyl group. This specific arrangement of functional groups imparts unique chemical and physical properties to the molecule.

In the pharmaceutical industry, Ethanone, 1-(2,5-dimethylphenyl)-2,2,2-trifluoro- has garnered attention for its potential as an intermediate in the synthesis of various drugs. Recent studies have highlighted its role in the development of novel therapeutic agents. For instance, a study published in the *Journal of Medicinal Chemistry* in 2023 reported the use of this compound as a key intermediate in the synthesis of a new class of anti-inflammatory drugs. The trifluoromethyl group in the molecule enhances its metabolic stability and bioavailability, making it an attractive candidate for drug design.

Moreover, Ethanone, 1-(2,5-dimethylphenyl)-2,2,2-trifluoro- has been explored for its potential in the field of cancer research. A study conducted by researchers at the National Institutes of Health (NIH) demonstrated that this compound can be used to synthesize inhibitors of specific enzymes involved in cancer cell proliferation. The ability to modulate these enzymes makes Ethanone, 1-(2,5-dimethylphenyl)-2,2,2-trifluoro- a promising lead compound for further investigation.

In addition to its pharmaceutical applications, Ethanone, 1-(2,5-dimethylphenyl)-2,2,2-trifluoro- is also utilized in chemical research and industrial processes. Its unique properties make it suitable for use as a solvent or reagent in organic synthesis. For example, it has been employed in the synthesis of advanced materials and polymers due to its ability to enhance solubility and reactivity under various conditions.

The synthesis of Ethanone, 1-(2,5-dimethylphenyl)-2,2,2-trifluoro- involves several well-established chemical reactions. One common method involves the reaction of (trifluoromethyl)acetyl chloride with o-xylene in the presence of a suitable base such as triethylamine. This reaction yields Ethanone, 1-(2,5-dimethylphenyl)-2,2,2-trifluoro- with high purity and yield. The process can be optimized by controlling reaction parameters such as temperature and pressure to achieve optimal results.

The physical properties of Ethanone, 1-(2,5-dimethylphenyl)-2,2,2-trifluoro- include a boiling point of approximately 160°C at atmospheric pressure and a melting point around -30°C. It is soluble in common organic solvents such as dichloromethane and ethanol but has limited solubility in water. These properties make it suitable for use in various chemical reactions and processes where solubility and stability are critical factors.

Safety considerations are essential when handling Ethanone, 1-(2,5-dimethylphenyl)-2,2,2-trifluoro-. While it is not classified as a hazardous material under current regulations (such as those outlined by OSHA or GHS), appropriate precautions should be taken to ensure safe handling and storage. This includes using personal protective equipment (PPE) such as gloves and safety goggles and working in well-ventilated areas to minimize exposure risks.

In conclusion, Ethanone, 1-(2,5-dimethylphenyl)-2,2,2-trifluoro- (CAS No. 181828-02-4) is a multifaceted compound with significant potential across various scientific disciplines. Its unique molecular structure and properties make it an invaluable component in pharmaceutical research and development as well as industrial applications. As ongoing research continues to uncover new applications and benefits of this compound,its importance in the scientific community is likely to grow even further.

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