CAS 1221725-80-9

2,2,2-Trifluoroethyl N-[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]carbamate

Description:

2,2,2-Trifluoroethyl N-[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]carbamate is a chemical compound characterized by its unique structure, which includes a trifluoroethyl group and a triazole moiety. This compound is typically classified as a carbamate, indicating the presence of a carbamate functional group (-NH-CO-O-). The trifluoroethyl group contributes to its lipophilicity and potential biological activity, while the triazole ring is known for its role in various pharmacological applications, including antifungal and herbicidal properties. The presence of the methyl group on the triazole enhances its stability and solubility in organic solvents. This compound may exhibit specific interactions with biological targets, making it of interest in agricultural and pharmaceutical research. Its synthesis and characterization involve standard organic chemistry techniques, and it is essential to handle it with care due to potential toxicity associated with carbamate derivatives. Overall, 2,2,2-Trifluoroethyl N-[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]carbamate represents a significant compound in the study of agrochemicals and medicinal chemistry.

Formula: C₈H₁₁F₃N₄O₂

InChI: InChI=1S/C8H11F3N4O2/c1-5(6-14-12-4-15(6)2)13-7(16)17-3-8(9,10)11/h4-5H,3H2,1-2H3,(H,13,16)

InChI key: InChIKey=RMLODLFOEBGNDG-UHFFFAOYSA-N

SMILES: C(NC(OCC(F)(F)F)=O)(C)C=1N(C)C=NN1

Synonyms:

• Carbamic acid, N-[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-, 2,2,2-trifluoroethyl ester
• 2,2,2-Trifluoroethyl N-[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]carbamate

2,2,2-Trifluoroethyl N-[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]carbamate

CAS: 1221725-80-9

Versatile small molecule scaffold

Formula: C₈H₁₁F₃N₄O₂

Purity: Min. 95%

Molecular weight: 252.19 g/mol

Ref: 3D-WYB72580