CAS 790714-75-9

1,1-Dimethylethyl 5-(trifluoromethyl)-2-pyridineacetate

Description:

1,1-Dimethylethyl 5-(trifluoromethyl)-2-pyridineacetate, identified by its CAS number 790714-75-9, is a chemical compound that features a pyridine ring substituted with both a trifluoromethyl group and an ester functional group. The presence of the trifluoromethyl group typically imparts unique electronic properties, enhancing the compound's lipophilicity and potentially influencing its biological activity. The ester moiety suggests that this compound may be involved in various chemical reactions, such as hydrolysis or transesterification. Additionally, the tert-butyl group (1,1-dimethylethyl) contributes to steric hindrance, which can affect the compound's reactivity and interaction with biological targets. This compound may be of interest in pharmaceutical research or agrochemical applications due to its structural features, which can influence its efficacy and selectivity in biological systems. As with many fluorinated compounds, it may exhibit stability under various conditions, making it suitable for specific applications in synthetic chemistry or material science.

Formula: C₁₂H₁₄F₃NO₂

InChI: InChI=1S/C12H14F3NO2/c1-11(2,3)18-10(17)6-9-5-4-8(7-16-9)12(13,14)15/h4-5,7H,6H2,1-3H3

InChI key: InChIKey=QNSFRXRIDHXQLV-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1C=CC(CC(OC(C)(C)C)=O)=NC1

Synonyms:

• 1,1-Dimethylethyl 5-(trifluoromethyl)-2-pyridineacetate
• 2-Pyridineacetic acid, 5-(trifluoromethyl)-, 1,1-dimethylethyl ester