CAS 742-37-0

ethyl 4-[(2-chlorophenyl)amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate

Description:

Ethyl 4-[(2-chlorophenyl)amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate, with the CAS number 742-37-0, is a chemical compound that belongs to the class of pyrimidine derivatives. This substance features a pyrimidine ring substituted with an ethyl ester group and a trifluoromethyl group, as well as a 2-chlorophenyl amino group, which contributes to its unique chemical properties. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its biological activity. The compound is typically characterized by its solid state at room temperature and may exhibit moderate solubility in organic solvents. Its structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of functional groups that can participate in various chemical reactions. Additionally, the chlorophenyl moiety may impart specific interactions with biological targets, making it of interest in drug design and development. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₁₄H₁₁ClF₃N₃O₂

InChI: InChI=1/C14H11ClF3N3O2/c1-2-23-12(22)8-7-19-13(14(16,17)18)21-11(8)20-10-6-4-3-5-9(10)15/h3-7H,2H2,1H3,(H,19,20,21)

SMILES: CCOC(=O)c1cnc(C(F)(F)F)[nH]c1=Nc1ccccc1Cl

Synonyms:

• Ethyl 4-(2-Chloroanilino)-2-(Trifluoromethyl)Pyrimidine-5-Carboxylate