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- W4287307903 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." @default.
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- W4287307903 date "2022-07-25" @default.
- W4287307903 modified "2023-09-28" @default.
- W4287307903 title "Synthesis crystal structure, and DFT study of ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate" @default.
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- W4287307903 doi "https://doi.org/10.1080/15421406.2022.2104036" @default.
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