Cas no 2228995-78-4 (1-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2,2,2-trifluoroethan-1-one)

1-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2,2,2-trifluoroethan-1-one is a fluorinated pyrazole derivative with significant utility in agrochemical and pharmaceutical synthesis. Its structure, featuring both chloro and trifluoromethyl substituents, enhances reactivity and stability, making it a valuable intermediate in the preparation of advanced active ingredients. The presence of multiple fluorine atoms contributes to improved lipophilicity and metabolic resistance, which are critical for optimizing biological activity in target compounds. This compound is particularly useful in the development of crop protection agents and bioactive molecules, where its selective functionalization allows for precise structural modifications. High purity and consistent performance ensure reliable results in synthetic applications.
1-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2,2,2-trifluoroethan-1-one structure
2228995-78-4 structure
Product Name:1-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2,2,2-trifluoroethan-1-one
CAS No:2228995-78-4
MF:C7H3ClF6N2O
MW:280.554941415787
CID:5767603
PubChem ID:165972990
Update Time:2025-10-27

1-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2,2,2-trifluoroethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 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 >>

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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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