Cas no 618070-61-4 (Ethyl 5-(trifluoromethyl)-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate)

Ethyl 5-(trifluoromethyl)-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate is a fluorinated pyrazole derivative with notable applications in pharmaceutical and agrochemical research. Its structure incorporates both trifluoromethyl and fluorophenyl groups, enhancing its reactivity and potential as a versatile intermediate in synthetic chemistry. The presence of these electron-withdrawing substituents improves metabolic stability and binding affinity, making it valuable for the development of bioactive compounds. This ester derivative is particularly useful in the synthesis of heterocyclic frameworks, offering precise functionalization opportunities. Its well-defined chemical properties and compatibility with various reaction conditions contribute to its utility in medicinal chemistry and material science applications.
Ethyl 5-(trifluoromethyl)-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate structure
618070-61-4 structure
Product Name:Ethyl 5-(trifluoromethyl)-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate
CAS No:618070-61-4
MF:C13H10F4N2O2
MW:302.224317073822
CID:1633578
PubChem ID:5085411
Update Time:2025-06-14

Ethyl 5-(trifluoromethyl)-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 1-(2-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carbox ylate
    • ETHYL 5-(TRIFLUOROMETHYL)-1-(2-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
    • AKOS009162777
    • Ethyl 1-(2-Fluoro-phenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylate
    • Ethyl 1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
    • SCHEMBL24804947
    • 618070-61-4
    • Ethyl1-(2-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
    • TZZRTCPWYCEQBG-UHFFFAOYSA-N
    • Ethyl 1-(2-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
    • Ethyl 5-(trifluoromethyl)-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate
    • MDL: MFCD03934804
    • Inchi: 1S/C13H10F4N2O2/c1-2-21-12(20)8-7-18-19(11(8)13(15,16)17)10-6-4-3-5-9(10)14/h3-7H,2H2,1H3
    • InChI Key: TZZRTCPWYCEQBG-UHFFFAOYSA-N
    • SMILES: FC(C1=C(C(=O)OCC)C=NN1C1C=CC=CC=1F)(F)F

Computed Properties

  • Exact Mass: 302.06784021g/mol
  • Monoisotopic Mass: 302.06784021g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 378
  • 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: 3.1
  • Topological Polar Surface Area: 44.1?2

Ethyl 5-(trifluoromethyl)-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate Pricemore >>

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Additional information on Ethyl 5-(trifluoromethyl)-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate

Comprehensive Overview of Ethyl 5-(trifluoromethyl)-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS No. 618070-61-4)

Ethyl 5-(trifluoromethyl)-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS No. 618070-61-4) is a fluorinated pyrazole derivative with significant applications in pharmaceutical and agrochemical research. This compound belongs to the class of heterocyclic compounds, which are widely studied for their bioactive properties. The presence of trifluoromethyl and fluorophenyl groups enhances its stability and reactivity, making it a valuable intermediate in synthetic chemistry. Researchers are increasingly interested in this compound due to its potential role in developing novel therapeutics and crop protection agents.

The molecular structure of Ethyl 5-(trifluoromethyl)-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate features a pyrazole ring substituted with a trifluoromethyl group at the 5-position and a 2-fluorophenyl moiety at the 1-position. The ethyl carboxylate group at the 4-position further contributes to its versatility in chemical reactions. This unique combination of functional groups allows the compound to participate in various cross-coupling reactions, nucleophilic substitutions, and cyclization processes, which are critical in drug discovery and material science.

In recent years, the demand for fluorinated compounds like Ethyl 5-(trifluoromethyl)-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate has surged due to their enhanced metabolic stability and bioavailability. These properties are particularly valuable in the design of next-generation pharmaceuticals, where fluorine incorporation often improves drug efficacy and reduces side effects. Additionally, the agrochemical industry leverages such compounds to develop environmentally friendly pesticides with lower toxicity profiles.

From a synthetic perspective, CAS No. 618070-61-4 is often synthesized via multistep organic reactions, including condensation and esterification processes. Advanced techniques such as microwave-assisted synthesis and catalyzed reactions have been employed to optimize its production. The compound's high purity and consistent quality are essential for reproducible research outcomes, making it a preferred choice for academic and industrial laboratories.

The growing interest in sustainable chemistry has also highlighted the importance of Ethyl 5-(trifluoromethyl)-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate. Researchers are exploring greener synthesis routes, such as solvent-free reactions and biocatalysis, to minimize environmental impact. This aligns with global trends toward green chemistry and circular economy principles, which are increasingly prioritized in chemical manufacturing.

In summary, Ethyl 5-(trifluoromethyl)-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate (CAS No. 618070-61-4) is a multifaceted compound with broad applications in medicinal chemistry, agrochemical development, and material science. Its unique structural features and functional groups make it a subject of ongoing research, particularly in the context of innovative drug design and sustainable chemical processes. As scientific advancements continue, this compound is expected to play a pivotal role in addressing contemporary challenges in health and agriculture.

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