Cas no 2092239-64-8 (1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid)
1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- AKOS026720684
- 2-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid
- 2092239-64-8
- 1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
- F2198-0111
- 1H-Pyrazole-5-carboxylic acid, 1-(2-hydroxyethyl)-3-(trifluoromethyl)-
-
- Inchi: 1S/C7H7F3N2O3/c8-7(9,10)5-3-4(6(14)15)12(11-5)1-2-13/h3,13H,1-2H2,(H,14,15)
- InChI Key: HJGIJZSVFOCYSA-UHFFFAOYSA-N
- SMILES: FC(C1C=C(C(=O)O)N(CCO)N=1)(F)F
Computed Properties
- Exact Mass: 224.04087658g/mol
- Monoisotopic Mass: 224.04087658g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 246
- 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: 0.3
- Topological Polar Surface Area: 75.4?2
Experimental Properties
- Density: 1.62±0.1 g/cm3(Predicted)
- Boiling Point: 377.1±42.0 °C(Predicted)
- pka: 3.02±0.36(Predicted)
1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | H120111-100mg |
1-(2-hydroxyethyl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid |
2092239-64-8 | 100mg |
$ 95.00 | 2022-06-04 | ||
| TRC | H120111-500mg |
1-(2-hydroxyethyl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid |
2092239-64-8 | 500mg |
$ 320.00 | 2022-06-04 | ||
| TRC | H120111-1g |
1-(2-hydroxyethyl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid |
2092239-64-8 | 1g |
$ 475.00 | 2022-06-04 | ||
| Life Chemicals | F2198-0111-0.25g |
1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid |
2092239-64-8 | 95% | 0.25g |
$210.0 | 2023-09-06 | |
| Life Chemicals | F2198-0111-0.5g |
1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid |
2092239-64-8 | 95% | 0.5g |
$300.0 | 2023-09-06 | |
| Life Chemicals | F2198-0111-1g |
1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid |
2092239-64-8 | 95% | 1g |
$425.0 | 2023-09-06 | |
| Life Chemicals | F2198-0111-2.5g |
1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid |
2092239-64-8 | 95% | 2.5g |
$929.0 | 2023-09-06 | |
| Life Chemicals | F2198-0111-5g |
1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid |
2092239-64-8 | 95% | 5g |
$1402.0 | 2023-09-06 | |
| Life Chemicals | F2198-0111-10g |
1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid |
2092239-64-8 | 95% | 10g |
$1968.0 | 2023-09-06 |
1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
Additional information on 1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid (CAS No. 2092239-64-8): A Comprehensive Overview
The compound 1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid (CAS No. 2092239-64-8) is a specialized chemical with significant potential in various scientific and industrial applications. This molecule features a pyrazole core substituted with a hydroxyethyl group and a trifluoromethyl moiety, making it a versatile intermediate in organic synthesis and pharmaceutical research. Its unique structural attributes contribute to its growing popularity among researchers and manufacturers.
One of the most notable characteristics of 1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid is its carboxylic acid functionality, which allows for further derivatization. This property is particularly valuable in drug discovery, where researchers often modify such compounds to enhance bioavailability or target specificity. The presence of the trifluoromethyl group also improves metabolic stability, a feature highly sought after in modern medicinal chemistry.
Recent trends in chemical research highlight the increasing demand for fluorinated pyrazole derivatives, with CAS 2092239-64-8 being no exception. Fluorinated compounds often exhibit improved pharmacokinetic properties, making them attractive candidates for therapeutic applications. The combination of a hydroxyethyl side chain and a trifluoromethyl group in this molecule offers a balanced profile of hydrophilicity and lipophilicity, crucial for drug design.
In material science, 1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid serves as a building block for advanced polymers and coatings. The pyrazole ring contributes thermal stability, while the fluorine atoms can enhance chemical resistance. These properties make it suitable for high-performance applications in electronics, aerospace, and specialty coatings industries.
The synthesis of 1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid typically involves multi-step organic reactions, with careful control of reaction conditions to ensure high purity. Manufacturers and suppliers often provide this compound with different purity grades (98%, 99%) to meet various research and industrial requirements. Analytical techniques like HPLC, NMR, and mass spectrometry are commonly employed for quality control.
From an environmental perspective, the development of eco-friendly synthetic routes for compounds like CAS 2092239-64-8 has become a significant research focus. Green chemistry principles are being applied to reduce waste and improve atom economy in its production. This aligns with current industry trends toward sustainable chemical manufacturing processes.
The global market for fluorinated heterocyclic compounds continues to expand, driven by pharmaceutical and material science applications. 1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid represents an important segment of this market, with increasing research publications and patent filings related to its derivatives. Suppliers report growing demand from academic institutions and pharmaceutical companies worldwide.
Storage and handling of 1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid require standard laboratory precautions. While not classified as hazardous under normal conditions, proper storage in cool, dry conditions away from strong oxidizers is recommended to maintain stability. Material Safety Data Sheets (MSDS) provide detailed handling instructions for this chemical.
Future research directions for CAS 2092239-64-8 may explore its potential in emerging fields such as agrochemicals, where fluorinated compounds often demonstrate enhanced activity. The compound's structural features could also be valuable in developing new catalysts or functional materials for energy applications, reflecting broader scientific trends toward sustainable technologies.
For researchers working with 1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid, proper analytical characterization is essential. The compound's purity can significantly impact experimental results, particularly in sensitive applications like medicinal chemistry. Reputable suppliers typically provide comprehensive analytical data with each batch, including chromatograms and spectral data.
The price and availability of 1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid vary depending on quantity and purity requirements. While still considered a specialty chemical, its commercial availability has increased in recent years, reflecting growing recognition of its utility. Custom synthesis options are also available for researchers requiring specific isotopic labeling or structural modifications.
In conclusion, 1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid (CAS No. 2092239-64-8) represents an important chemical building block with diverse applications across multiple scientific disciplines. Its unique combination of functional groups offers numerous possibilities for further development, particularly in pharmaceutical research and advanced materials. As synthetic methodologies continue to advance, we can expect to see expanded utilization of this versatile compound in cutting-edge research and industrial applications.
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