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 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
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
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 |
771-52-8 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B587915-50mg |
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione |
771-52-8 | 50mg |
$ 160.00 | 2022-06-07 | ||
| TRC | B587915-100mg |
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione |
771-52-8 | 100mg |
$ 230.00 | 2022-06-07 | ||
| A2B Chem LLC | AV47942-2.5g |
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione |
771-52-8 | 95% | 2.5g |
$1243.00 | 2024-04-19 | |
| A2B Chem LLC | AV47942-5g |
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione |
771-52-8 | 95% | 5g |
$1820.00 | 2024-04-19 | |
| A2B Chem LLC | AV47942-10g |
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione |
771-52-8 | 95% | 10g |
$2684.00 | 2024-04-19 | |
| 1PlusChem | 1P01A1ZA-50mg |
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione |
771-52-8 | 95% | 50mg |
$167.00 | 2025-03-04 | |
| 1PlusChem | 1P01A1ZA-100mg |
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione |
771-52-8 | 95% | 100mg |
$231.00 | 2025-03-04 | |
| 1PlusChem | 1P01A1ZA-250mg |
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione |
771-52-8 | 95% | 250mg |
$315.00 | 2025-03-04 | |
| 1PlusChem | 1P01A1ZA-500mg |
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione |
771-52-8 | 95% | 500mg |
$543.00 | 2025-03-04 |
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione Related Literature
-
Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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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