CAS 944905-47-9

Ethyl 5-(trifluoromethyl)-2-pyrimidineacetate

Description:

Ethyl 5-(trifluoromethyl)-2-pyrimidineacetate is a chemical compound characterized by its pyrimidine ring structure, which is a six-membered aromatic ring containing nitrogen atoms. The presence of a trifluoromethyl group (-CF3) at the 5-position of the pyrimidine enhances its lipophilicity and can influence its biological activity, making it of interest in pharmaceutical research. The ethyl ester functional group contributes to its reactivity and solubility properties, allowing for potential applications in organic synthesis and medicinal chemistry. This compound may exhibit unique properties due to the electron-withdrawing nature of the trifluoromethyl group, which can affect the acidity of nearby protons and the overall electronic distribution within the molecule. Additionally, the compound's structure suggests potential interactions with biological targets, making it a candidate for further investigation in drug development. As with many fluorinated compounds, it may also exhibit stability under various conditions, which is advantageous for storage and handling.

Formula: C₉H₉F₃N₂O₂

InChI: InChI=1S/C9H9F3N2O2/c1-2-16-8(15)3-7-13-4-6(5-14-7)9(10,11)12/h4-5H,2-3H2,1H3

InChI key: InChIKey=NRDUYVFZKKRJSA-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1C=NC(CC(OCC)=O)=NC1

Synonyms:

• Ethyl 5-(trifluoromethyl)-2-pyrimidineacetate
• 2-Pyrimidineacetic acid, 5-(trifluoromethyl)-, ethyl ester