Cas no 1823442-43-8 (ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate)
ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate
- STL585037
- ethyl 2-[3-(difluoromethyl)pyrazol-1-yl]butanoate
- ethyl2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate
- 1H-Pyrazole-1-acetic acid, 3-(difluoromethyl)-α-ethyl-, ethyl ester
-
- MDL: MFCD29034331
- Inchi: 1S/C10H14F2N2O2/c1-3-8(10(15)16-4-2)14-6-5-7(13-14)9(11)12/h5-6,8-9H,3-4H2,1-2H3
- InChI Key: WWXRTJDFPPNBPX-UHFFFAOYSA-N
- SMILES: FC(C1C=CN(C(C(=O)OCC)CC)N=1)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 239
- XLogP3: 2.2
- Topological Polar Surface Area: 44.1
ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-233307-1g |
ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate |
1823442-43-8 | 95% | 1g |
$834.0 | 2023-09-15 | |
| Enamine | EN300-233307-5g |
ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate |
1823442-43-8 | 95% | 5g |
$1815.0 | 2023-09-15 | |
| Enamine | EN300-233307-10g |
ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate |
1823442-43-8 | 95% | 10g |
$2775.0 | 2023-09-15 | |
| Enamine | EN300-233307-0.05g |
ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate |
1823442-43-8 | 95% | 0.05g |
$194.0 | 2024-06-19 | |
| Enamine | EN300-233307-0.1g |
ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate |
1823442-43-8 | 95% | 0.1g |
$289.0 | 2024-06-19 | |
| Enamine | EN300-233307-0.25g |
ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate |
1823442-43-8 | 95% | 0.25g |
$413.0 | 2024-06-19 | |
| Enamine | EN300-233307-0.5g |
ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate |
1823442-43-8 | 95% | 0.5g |
$650.0 | 2024-06-19 | |
| Enamine | EN300-233307-1.0g |
ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate |
1823442-43-8 | 95% | 1.0g |
$834.0 | 2024-06-19 | |
| Enamine | EN300-233307-2.5g |
ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate |
1823442-43-8 | 95% | 2.5g |
$1202.0 | 2024-06-19 | |
| Enamine | EN300-233307-5.0g |
ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate |
1823442-43-8 | 95% | 5.0g |
$1815.0 | 2024-06-19 |
ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate Related Literature
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
Additional information on ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate
Comprehensive Overview of Ethyl 2-[3-(Difluoromethyl)-1H-pyrazol-1-yl]butanoate (CAS No. 1823442-43-8)
Ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate (CAS No. 1823442-43-8) is a specialized organic compound that has garnered significant attention in the fields of agrochemicals, pharmaceuticals, and material science. This ester derivative, featuring a difluoromethylpyrazole moiety, is renowned for its unique chemical properties and potential applications. Researchers and industry professionals are increasingly exploring its utility in crop protection, drug synthesis, and functional material development, aligning with the growing demand for sustainable and high-performance chemicals.
The compound's molecular structure, characterized by the presence of a difluoromethyl group and a pyrazole ring, contributes to its stability and reactivity. These features make it a valuable intermediate in the synthesis of advanced agrochemicals, particularly those targeting pest resistance and disease management. In recent years, the agrochemical industry has prioritized the development of eco-friendly pesticides, and ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate has emerged as a key candidate due to its efficacy and lower environmental impact.
From a pharmaceutical perspective, the pyrazole core of this compound is of particular interest. Pyrazole derivatives are widely recognized for their bioactive properties, including anti-inflammatory, antimicrobial, and anticancer activities. The incorporation of a difluoromethyl group enhances the compound's metabolic stability and bioavailability, making it a promising scaffold for drug discovery. Recent studies have highlighted its potential in designing next-generation therapeutics, especially in addressing drug-resistant infections and chronic diseases.
In the realm of material science, ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate is being investigated for its role in developing high-performance polymers and specialty coatings. The compound's ability to impart fluorinated characteristics to materials can improve their thermal stability, chemical resistance, and surface properties. This aligns with the increasing demand for advanced materials in industries such as electronics, automotive, and aerospace.
The synthesis of ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate typically involves multi-step reactions, including esterification and pyrazole functionalization. Optimizing these processes is a key focus for researchers aiming to enhance yield and purity while minimizing environmental impact. Green chemistry principles, such as the use of catalysts and solvent-free conditions, are increasingly being applied to its production, reflecting the industry's shift toward sustainable manufacturing.
Market trends indicate a rising demand for fluorinated compounds like ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate, driven by their versatility and performance advantages. Companies specializing in fine chemicals and custom synthesis are expanding their portfolios to include such high-value intermediates. Additionally, regulatory agencies are emphasizing the need for safety data and environmental assessments, prompting further research into the compound's toxicological profile and degradation pathways.
For researchers and industry stakeholders, understanding the structure-activity relationship of ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate is critical. Computational tools, such as molecular modeling and QSAR studies, are being employed to predict its behavior and optimize its applications. These advancements are paving the way for innovative uses in precision agriculture, targeted drug delivery, and smart materials.
In conclusion, ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate (CAS No. 1823442-43-8) represents a multifaceted compound with broad potential across multiple industries. Its unique chemical attributes, combined with the growing emphasis on sustainability and performance, position it as a valuable asset in modern science and technology. Ongoing research and development efforts are expected to unlock further applications, solidifying its role in the future of agrochemicals, pharmaceuticals, and advanced materials.
1823442-43-8 (ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate) Related Products
- 1006473-54-6(2-3-(trifluoromethyl)-1H-pyrazol-1-ylbutanoic acid)
- 1005585-51-2(ethyl 2-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-ylpropanoate)
- 1173070-61-5(ethyl 2-(3-methyl-1H-pyrazol-1-yl)butanoate)
- 1170003-86-7(ethyl 2-(5-methyl-1H-pyrazol-1-yl)butanoate)
- 1174860-75-3(ethyl 4-3-(trifluoromethyl)-1H-pyrazol-1-ylbutanoate)
- 161958-01-6(2,5-Furandione, 3-(3,5-dimethyl-1H-pyrazol-1-yl)dihydro-)
- 1005586-13-9(2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylpropanoic acid)
- 1006348-57-7(2-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylbutanoic acid)
- 957513-84-7(2-3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-yl-propanoic acid)
- 1170807-44-9(ethyl 2-(3-methyl-1H-pyrazol-1-yl)propanoate)