CAS 1124197-63-2

Ethanone-2,2-d2, 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-

Description:

Ethanone-2,2-d2, 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-, identified by its CAS number 1124197-63-2, is a chemical compound characterized by its unique molecular structure that includes a triazole ring and a difluorophenyl group. The presence of deuterium atoms in the ethanone moiety indicates that this compound is a deuterated analog, which can influence its physical and chemical properties, such as stability and reactivity. This compound may exhibit specific biological activities, making it of interest in pharmaceutical research, particularly in the development of antifungal or antimicrobial agents. Its synthesis typically involves multi-step organic reactions, and its characterization can be performed using techniques such as NMR spectroscopy, mass spectrometry, and chromatography. The presence of fluorine atoms often enhances the lipophilicity and metabolic stability of the compound, which can be advantageous in drug design. Overall, this compound represents a class of molecules that are valuable in medicinal chemistry and material science.

Formula: C₁₀H₅D₂F₂N₃O

InChI: InChI=1S/C10H7F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2/i4D2

InChI key: InChIKey=XCHRPVARHBCFMJ-APZFVMQVSA-N

SMILES: C(C(N1C=NC=N1)([2H])[2H])(=O)C2=C(F)C=C(F)C=C2

Synonyms:

• Ethanone-2,2-d2, 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-
• 2,2-Dideuterio-1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone

2,4-Difluoro-α-(1H-1,2,4-triazolyl)acetophenone-d2

Controlled Product

CAS: 1124197-63-2

Applications Antifungal activity, particularly toward Candida albicans and Candida parapsilosis.
References Upadhayaya, R., et al.: Eur. J. Med. Chem., 39, 579 (2004), Sheng, C., et al.: J. Med. Chem., 49, 2512 (2006)

Formula: C₁₀H₅D₂F₂N₃O

Color and Shape: Neat

Molecular weight: 225.19

Ref: TR-D445887