Abstract
Ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate is an important intermediate for the synthesis of imidazo[1,2-a]pyridine compounds with imidazo ring. In this article, the title compound is obtained by a three-step reaction. The molecular structure is further calculated using density functional theory (DFT), which was compared with the x-ray diffraction value. The results of the conformational analysis indicate that the molecular structure optimized by DFT is consistent with the crystal structure determined by single crystal x-ray diffraction. In addition, the molecular electrostatic potential and frontier molecular orbitals of the title compound are further investigated by DFT, and some physicochemical properties of the compound are revealed.
Disclosure statement
The authors declare that they have no conflict of interests.