Cas no 2228995-78-4 (1-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2,2,2-trifluoroethan-1-one)
1-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2,2,2-trifluoroethan-1-one Chemical and Physical Properties
Names and Identifiers
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- 2228995-78-4
- EN300-1960982
- 1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroethan-1-one
- 1-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2,2,2-trifluoroethan-1-one
-
- Inchi: 1S/C7H3ClF6N2O/c1-16-5(8)2(4(17)7(12,13)14)3(15-16)6(9,10)11/h1H3
- InChI Key: GLMLEZRJAAERMW-UHFFFAOYSA-N
- SMILES: ClC1=C(C(C(F)(F)F)=O)C(C(F)(F)F)=NN1C
Computed Properties
- Exact Mass: 279.9838094g/mol
- Monoisotopic Mass: 279.9838094g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 317
- 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: 2.9
- Topological Polar Surface Area: 34.9?2
1-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2,2,2-trifluoroethan-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1960982-1g |
1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroethan-1-one |
2228995-78-4 | 1g |
$1272.0 | 2023-09-17 | ||
| Enamine | EN300-1960982-5g |
1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroethan-1-one |
2228995-78-4 | 5g |
$3687.0 | 2023-09-17 | ||
| Enamine | EN300-1960982-10g |
1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroethan-1-one |
2228995-78-4 | 10g |
$5467.0 | 2023-09-17 | ||
| Enamine | EN300-1960982-0.05g |
1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroethan-1-one |
2228995-78-4 | 0.05g |
$1068.0 | 2023-09-17 | ||
| Enamine | EN300-1960982-0.1g |
1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroethan-1-one |
2228995-78-4 | 0.1g |
$1119.0 | 2023-09-17 | ||
| Enamine | EN300-1960982-0.25g |
1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroethan-1-one |
2228995-78-4 | 0.25g |
$1170.0 | 2023-09-17 | ||
| Enamine | EN300-1960982-0.5g |
1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroethan-1-one |
2228995-78-4 | 0.5g |
$1221.0 | 2023-09-17 | ||
| Enamine | EN300-1960982-1.0g |
1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroethan-1-one |
2228995-78-4 | 1g |
$1157.0 | 2023-05-23 | ||
| Enamine | EN300-1960982-2.5g |
1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroethan-1-one |
2228995-78-4 | 2.5g |
$2492.0 | 2023-09-17 | ||
| Enamine | EN300-1960982-5.0g |
1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroethan-1-one |
2228995-78-4 | 5g |
$3355.0 | 2023-05-23 |
1-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2,2,2-trifluoroethan-1-one Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
Additional information on 1-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2,2,2-trifluoroethan-1-one
1-(5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-2,2,2-trifluoroethan-1-one (CAS No. 2228995-78-4): A Comprehensive Overview
1-(5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-2,2,2-trifluoroethan-1-one (CAS No. 2228995-78-4) is a fluorinated pyrazole derivative that has garnered significant attention in the fields of medicinal chemistry and agrochemical research. This compound, characterized by its unique trifluoromethyl and chloro substituents, exhibits remarkable chemical properties that make it a valuable intermediate in the synthesis of various bioactive molecules. Its molecular formula is C8H5ClF6N2O, and it features a pyrazole ring system that is highly functionalized, contributing to its diverse applications.
The 1-(5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-2,2,2-trifluoroethanone structure is notable for its electron-withdrawing groups, which enhance its reactivity and stability under various conditions. This makes it an attractive candidate for use in pharmaceutical intermediates and agrochemical formulations. Researchers have explored its potential in the development of novel herbicides, insecticides, and fungicides, leveraging its ability to interact with biological targets effectively. Additionally, its fluorinated components are of particular interest in drug discovery, as they often improve the metabolic stability and bioavailability of therapeutic agents.
In recent years, the demand for fluorinated pyrazole derivatives like CAS 2228995-78-4 has surged, driven by advancements in precision agriculture and the need for more efficient crop protection solutions. Farmers and agronomists are increasingly seeking compounds that offer targeted action with minimal environmental impact, and this molecule fits the bill due to its selective activity. Moreover, the rise of sustainable chemistry has prompted the exploration of greener synthesis routes for such compounds, aligning with global efforts to reduce the carbon footprint of chemical production.
The synthesis of 1-(5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-2,2,2-trifluoroethanone typically involves multi-step reactions, including the introduction of the trifluoromethyl group and subsequent functionalization of the pyrazole ring. Researchers have optimized these processes to achieve higher yields and purity, ensuring the compound meets the stringent requirements of industrial applications. Analytical techniques such as NMR spectroscopy, mass spectrometry, and HPLC are routinely employed to characterize and validate the structure and purity of the final product.
Beyond its agricultural uses, CAS 2228995-78-4 has shown promise in the pharmaceutical sector. Its structural motifs are commonly found in molecules designed to target enzymes and receptors involved in various diseases. For instance, fluorinated pyrazoles are being investigated for their potential in treating inflammatory disorders, cancer, and infectious diseases. The ability of 1-(5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-2,2,2-trifluoroethanone to serve as a building block for more complex drug candidates underscores its versatility and importance in modern drug development.
Market trends indicate a growing interest in specialty chemicals like 1-(5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-2,2,2-trifluoroethanone, particularly in regions with robust agricultural and pharmaceutical industries. Companies are investing in research to expand the applications of this compound, exploring its potential in material science and electronic chemicals. As regulatory frameworks evolve to prioritize safer and more sustainable chemicals, the demand for high-purity, well-characterized intermediates such as this is expected to rise.
In conclusion, 1-(5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-2,2,2-trifluoroethan-1-one (CAS No. 2228995-78-4) represents a fascinating example of how fluorinated heterocycles can drive innovation across multiple industries. Its unique chemical properties, coupled with its broad applicability, make it a compound of significant interest to researchers and industry professionals alike. As the scientific community continues to uncover new uses for this molecule, its role in advancing sustainable agriculture and pharmaceutical innovation is likely to expand, solidifying its position as a key player in the world of specialty chemicals.
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