Cas no 771-52-8 (1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione)

1-(2,2,2-Trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione is a fluorinated heterocyclic compound featuring a reactive maleimide core substituted with a trifluoroethyl group. This structure imparts enhanced electrophilicity, making it a valuable intermediate in organic synthesis, particularly for Michael additions and cycloaddition reactions. The trifluoroethyl moiety contributes to improved stability and lipophilicity, which can be advantageous in pharmaceutical and agrochemical applications. Its compatibility with nucleophiles and potential for selective functionalization make it useful in the development of bioactive molecules and advanced materials. The compound’s well-defined reactivity profile ensures consistent performance in synthetic workflows.
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione structure
771-52-8 structure
Product Name:1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CAS No:771-52-8
MF:C6H4F3NO2
MW:179.096672058105
CID:4181882
PubChem ID:19821160
Update Time:2025-06-07

1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole-2,5-dione, 1-(2,2,2-trifluoroethyl)-
    • EN300-113717
    • Z335243520
    • 1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
    • N-2,2,2-trifluoroethylmaleimide
    • 989-150-4
    • 1-(2,2,2-TRIFLUOROETHYL)PYRROLE-2,5-DIONE
    • CS-0223052
    • G55749
    • AAA77152
    • IWRBOJITNPGNMD-UHFFFAOYSA-N
    • AKOS000249709
    • 771-52-8
    • SCHEMBL8734133
    • Inchi: 1S/C6H4F3NO2/c7-6(8,9)3-10-4(11)1-2-5(10)12/h1-2H,3H2
    • InChI Key: IWRBOJITNPGNMD-UHFFFAOYSA-N
    • SMILES: FC(CN1C(C=CC1=O)=O)(F)F

Computed Properties

  • Exact Mass: 179.01941286g/mol
  • Monoisotopic Mass: 179.01941286g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 238
  • 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: 1.7
  • Topological Polar Surface Area: 37.4?2

1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione Security Information

1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B587915-10mg
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
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$ 50.00 2022-06-07
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$ 230.00 2022-06-07
A2B Chem LLC
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Additional information on 1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione

Comprehensive Overview of 1-(2,2,2-Trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione (CAS No. 771-52-8)

1-(2,2,2-Trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione (CAS No. 771-52-8) is a fluorinated organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. The presence of the trifluoroethyl group enhances its metabolic stability and lipophilicity, making it a valuable intermediate in drug discovery. Researchers frequently explore its applications in the synthesis of bioactive molecules, particularly those targeting enzyme inhibition and receptor modulation.

In recent years, the demand for fluorinated compounds like 1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione has surged, driven by their role in improving drug efficacy and reducing side effects. This compound's pyrrole-2,5-dione core is a versatile scaffold, often utilized in the development of anti-inflammatory and antimicrobial agents. Its CAS No. 771-52-8 is a critical identifier for regulatory and commercial purposes, ensuring precise tracking in global chemical databases.

The synthesis of 1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione involves multi-step organic reactions, including cyclization and fluorination processes. Advanced techniques such as NMR spectroscopy and mass spectrometry are employed to confirm its purity and structural integrity. Given the growing interest in sustainable chemistry, efforts are underway to optimize its production using greener solvents and catalysts, aligning with the principles of green chemistry.

From a commercial perspective, CAS No. 771-52-8 is listed in catalogs of leading chemical suppliers, catering to pharmaceutical and research institutions. Its applications extend to material science, where it serves as a building block for polymers with enhanced thermal and chemical resistance. The compound's trifluoroethyl moiety is particularly valued in the design of high-performance materials, such as coatings and adhesives.

Frequently asked questions about 1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione include inquiries about its solubility, stability, and compatibility with other reagents. Researchers also seek information on its toxicological profile and handling precautions, though it is not classified as a hazardous substance under standard regulations. The compound's pyrrole-2,5-dione derivative status makes it a subject of interest in patent literature, with numerous filings highlighting its utility in innovative therapeutic formulations.

In the context of AI-driven drug discovery, CAS No. 771-52-8 has been flagged as a promising candidate for virtual screening and molecular docking studies. Its structural features align with the Lipinski's Rule of Five, a key criterion for orally active drugs. This has spurred collaborations between computational chemists and synthetic biologists to explore its potential in precision medicine.

Environmental considerations are also paramount, with studies focusing on the biodegradability and ecological impact of fluorinated compounds. While 1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione exhibits moderate persistence, its low toxicity profile minimizes concerns about bioaccumulation. Regulatory agencies continue to monitor its usage, ensuring compliance with REACH and other global standards.

In summary, 1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione (CAS No. 771-52-8) represents a fusion of innovation and practicality in modern chemistry. Its applications span pharmaceuticals, materials science, and environmental research, making it a compound of enduring relevance. As scientific advancements unfold, its role in next-generation therapeutics and sustainable technologies is poised to expand further.

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