Cas no 81265-32-9 (2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate)
2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-1-carboxylicacid, 2,2,2-trifluoroethyl ester
- 2,2,2-trifluoroethyl imidazole-1-carboxylate
- N-(2,2,2-trifluoroethoxycarbonyl)imidazole
- VHSLGTPKFRBITL-UHFFFAOYSA-N
- MFCD25967441
- 1H-Imidazole-1-carboxylic acid, 2,2,2-trifluoroethyl ester
- 81265-32-9
- DTXSID00231014
- 2,2,2-Tfi
- 2,2,2-trifluoroethyl1H-imidazole-1-carboxylate
- SCHEMBL12185258
- 2,2,2-trifluoroethyl 1H-imidazole-1-carboxylate
- 2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate
-
- Inchi: 1S/C6H5F3N2O2/c7-6(8,9)3-13-5(12)11-2-1-10-4-11/h1-2,4H,3H2
- InChI Key: VHSLGTPKFRBITL-UHFFFAOYSA-N
- SMILES: FC(COC(N1C=NC=C1)=O)(F)F
Computed Properties
- Exact Mass: 194.03
- Monoisotopic Mass: 194.03
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 195
- 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: 1.2
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- Density: 1.44
- Boiling Point: 211.3°C at 760 mmHg
- Flash Point: 81.6°C
- Refractive Index: 1.464
2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | T899500-50mg |
2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate |
81265-32-9 | 50mg |
$58.00 | 2023-05-17 | ||
| TRC | T899500-100mg |
2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate |
81265-32-9 | 100mg |
$75.00 | 2023-05-17 | ||
| TRC | T899500-500mg |
2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate |
81265-32-9 | 500mg |
$253.00 | 2023-05-17 | ||
| Apollo Scientific | PC56218-1g |
2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate |
81265-32-9 | 97% | 1g |
£152.00 | 2025-02-21 | |
| Chemenu | CM525707-1g |
2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate |
81265-32-9 | 98% | 1g |
$80 | 2024-07-23 | |
| TRC | T899500-250mg |
2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate |
81265-32-9 | 250mg |
$138.00 | 2023-05-17 | ||
| TRC | T899500-1g |
2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate |
81265-32-9 | 1g |
$442.00 | 2023-05-17 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1594154-1g |
2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate |
81265-32-9 | 98% | 1g |
¥655.00 | 2024-07-28 | |
| Apollo Scientific | PC56218-5g |
2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate |
81265-32-9 | 97% | 5g |
£472.00 | 2025-02-21 | |
| Apollo Scientific | PC56218-25g |
2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate |
81265-32-9 | 97% | 25g |
£1428.00 | 2025-02-21 |
2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate Related Literature
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
Additional information on 2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate
Comprehensive Overview of 2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate (CAS No. 81265-32-9)
2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate (CAS No. 81265-32-9) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique trifluoroethyl and imidazole functional groups. This compound is widely recognized for its role as an intermediate in the synthesis of bioactive molecules, particularly those targeting enzyme inhibition and receptor modulation. Its carboxylate moiety further enhances its reactivity, making it a versatile building block in modern synthetic chemistry.
In recent years, the demand for fluorinated compounds like 2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate has surged, driven by their applications in drug discovery and material science. Researchers are particularly interested in its potential to improve the metabolic stability and bioavailability of therapeutic agents. The trifluoroethyl group is known to impart electron-withdrawing properties, which can significantly alter the pharmacokinetic profiles of drug candidates. This aligns with current trends in precision medicine, where structure-activity relationships (SAR) are meticulously optimized for enhanced efficacy.
From an industrial perspective, CAS No. 81265-32-9 is often discussed in the context of green chemistry and sustainable synthesis. Manufacturers are increasingly adopting eco-friendly protocols to produce such intermediates, minimizing waste and energy consumption. This resonates with global initiatives like the UN Sustainable Development Goals (SDGs), particularly Goal 12 (Responsible Consumption and Production). Analytical techniques such as HPLC and NMR are routinely employed to ensure the purity and consistency of this compound, addressing quality concerns raised by regulatory bodies.
The compound’s imidazole ring also makes it a subject of interest in heterocyclic chemistry, a field that dominates contemporary organic synthesis. Imidazole derivatives are pivotal in designing antifungal and antiviral agents, reflecting the growing need for novel antimicrobials amid rising drug resistance. Additionally, its carbamate linkage offers stability under physiological conditions, a feature highly valued in prodrug development. These attributes have spurred discussions in academic forums and patent literature, highlighting its cross-disciplinary relevance.
For laboratory use, 2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate is typically handled under controlled conditions to preserve its integrity. Storage recommendations often include inert atmospheres and low temperatures, as the trifluoroethyl moiety may be sensitive to hydrolysis. Safety data sheets (SDS) provide detailed guidelines, emphasizing the importance of personal protective equipment (PPE) during handling. Such precautions align with broader workplace safety trends, especially in GMP-compliant facilities.
In summary, CAS No. 81265-32-9 represents a critical intersection of innovation and practicality in chemical research. Its applications span from medicinal chemistry to material science, driven by the evolving needs of industries and academia. As synthetic methodologies advance, this compound is poised to play an even greater role in addressing challenges like drug delivery and molecular design, cementing its status as a cornerstone of modern organic synthesis.
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