CAS 914201-22-2

4-(1-methylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid

Description:

4-(1-Methylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid, identified by its CAS number 914201-22-2, is a pyrimidine derivative characterized by the presence of a trifluoromethyl group and a carboxylic acid functional group. This compound features a pyrimidine ring, which is a six-membered aromatic heterocycle containing two nitrogen atoms at positions 1 and 3. The presence of the isopropyl group (1-methylethyl) at position 4 contributes to its hydrophobic characteristics, while the trifluoromethyl group at position 2 enhances its electron-withdrawing properties, potentially influencing its reactivity and interactions with biological targets. The carboxylic acid group at position 5 introduces acidity and polar characteristics, which can enhance solubility in polar solvents and facilitate hydrogen bonding. Overall, this compound may exhibit interesting biological activity and could be of interest in pharmaceutical research, particularly in the development of agrochemicals or medicinal compounds. Its unique structural features suggest potential applications in various chemical and biological contexts.

Formula: C₉H₉F₃N₂O₂

InChI: InChI=1/C9H9F3N2O2/c1-4(2)6-5(7(15)16)3-13-8(14-6)9(10,11)12/h3-4H,1-2H3,(H,15,16)

SMILES: CC(C)c1c(cnc(C(F)(F)F)n1)C(=O)O

Synonyms:

• 4-Isopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid