CAS 758709-42-1

1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4-difluoro-1,3-butanedione

Description:

1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4-difluoro-1,3-butanedione, identified by its CAS number 758709-42-1, is a chemical compound characterized by its unique structure, which includes a pyrazole ring and a difluorinated butanedione moiety. This compound typically exhibits properties such as being a solid at room temperature, with potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of the difluoro substituents enhances its reactivity and solubility in organic solvents, while the pyrazole ring contributes to its biological activity. The compound may also display interesting electronic properties due to the electron-withdrawing nature of the fluorine atoms. Its synthesis often involves multi-step organic reactions, and it may be analyzed using techniques such as NMR spectroscopy and mass spectrometry to confirm its structure and purity. Overall, this compound represents a class of fluorinated organic molecules that are of significant interest in chemical research and development.

Formula: C₉H₁₀F₂N₂O₂

InChI: InChI=1S/C9H10F2N2O2/c1-5-6(4-13(2)12-5)7(14)3-8(15)9(10)11/h4,9H,3H2,1-2H3

InChI key: InChIKey=LSJYQWHOOBBGSN-UHFFFAOYSA-N

SMILES: C(CC(C(F)F)=O)(=O)C=1C(C)=NN(C)C1

Synonyms:

• 1-(1,3-Dimethylpyrazol-4-yl)-4,4-difluorobutane-1,3-dione
• 1,3-Butanedione, 1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4-difluoro-
• 1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4-difluoro-1,3-butanedione