Cas no 312308-30-8 (2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile)

2-(2-Oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile is a versatile synthetic intermediate with significant utility in organic and medicinal chemistry. Its structure features a reactive malononitrile moiety adjacent to a ketone group, enabling diverse transformations such as cyclizations and nucleophilic additions. The presence of the electron-withdrawing trifluoromethylphenyl group enhances its reactivity in condensation and Michael addition reactions, making it valuable for constructing heterocyclic frameworks. This compound is particularly useful in the synthesis of pharmaceuticals, agrochemicals, and advanced materials due to its ability to introduce both carbonyl and nitrile functionalities into target molecules. Its stability under standard conditions further ensures reliable handling in synthetic applications.
2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile structure
312308-30-8 structure
Product Name:2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile
CAS No:312308-30-8
MF:C12H7F3N2O
MW:252.191992998123
MDL:MFCD18072684
CID:834871
PubChem ID:57904470
Update Time:2025-11-02

2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile
    • {2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl}malononitrile
    • LogP
    • Propanedi<wbr>
    • CS-0035833
    • 2-{2-OXO-2-[4-(TRIFLUOROMETHYL)PHENYL]ETHYL}PROPANEDINITRILE
    • W12674
    • MFCD18072684
    • 2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]propanedinitrile
    • SCHEMBL13664176
    • AS-70442
    • AKOS022177367
    • CWFDAAVYVKTGLR-UHFFFAOYSA-N
    • 312308-30-8
    • MDL: MFCD18072684
    • Inchi: 1S/C12H7F3N2O/c13-12(14,15)10-3-1-9(2-4-10)11(18)5-8(6-16)7-17/h1-4,8H,5H2
    • InChI Key: CWFDAAVYVKTGLR-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(=CC=1)C(CC(C#N)C#N)=O)(F)F

Computed Properties

  • Exact Mass: 252.05111
  • Monoisotopic Mass: 252.05104734g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 388
  • 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: 2.1
  • Topological Polar Surface Area: 64.6?2

Experimental Properties

  • PSA: 64.65

2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile Pricemore >>

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2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile Related Literature

Additional information on 2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile

Comprehensive Overview of 2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile (CAS No. 312308-30-8)

2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile (CAS No. 312308-30-8) is a specialized organic compound that has garnered significant attention in the fields of pharmaceuticals, agrochemicals, and materials science. This compound, characterized by its unique trifluoromethylphenyl and malononitrile functional groups, exhibits versatile chemical properties that make it valuable for various applications. Researchers and industry professionals often search for high-purity 312308-30-8, synthesis methods for malononitrile derivatives, and applications of trifluoromethylphenyl compounds, reflecting its growing relevance in modern chemistry.

The molecular structure of 2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile features a carbonyl group adjacent to a phenyl ring substituted with a trifluoromethyl group, which enhances its reactivity and stability under various conditions. This structural motif is particularly sought after in the development of pharmaceutical intermediates and advanced materials. Recent trends in chemical research highlight the demand for fluorinated organic compounds, driven by their applications in drug discovery and electronic materials. Searches for CAS 312308-30-8 suppliers and malononitrile-based building blocks have surged, underscoring its commercial and scientific importance.

One of the key applications of 2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile lies in its role as a precursor for heterocyclic compounds, which are widely used in medicinal chemistry. The trifluoromethyl group is known to improve the bioavailability and metabolic stability of drug candidates, making this compound a valuable asset in drug design. Additionally, its electron-withdrawing properties are exploited in the synthesis of organic semiconductors and photovoltaic materials, aligning with the global push for sustainable energy solutions. Queries such as how to synthesize 312308-30-8 and trifluoromethylphenyl derivatives in drug development are common among chemists and researchers.

From a commercial perspective, the market for 2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile is expanding, with increasing demand from the pharmaceutical and agrochemical sectors. The compound's ability to act as a versatile intermediate in multi-step syntheses has made it a staple in industrial laboratories. Recent advancements in green chemistry have also spurred interest in eco-friendly synthesis routes for this compound, as evidenced by searches for sustainable production of 312308-30-8. Furthermore, its potential use in crop protection agents has attracted attention from agrochemical companies seeking innovative solutions for pest management.

In summary, 2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile (CAS No. 312308-30-8) is a compound of high scientific and industrial significance. Its unique structural features and broad applicability make it a subject of ongoing research and commercial interest. Whether you are exploring new synthetic pathways, investigating its role in material science, or sourcing it for industrial applications, this compound offers a wealth of opportunities for innovation. As the chemical industry evolves, compounds like 312308-30-8 will continue to play a pivotal role in shaping future technologies and solutions.

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