Experimental and theoretical study on a one-pot, three-component route to 3,4-dihydropyrimidin-2(1H)-ones/thiones TiCl3OTf-[bmim]Cl

作者: Asadollah Farhadi , Jalil Noei , Rasoul Haji Aliyari , Maryam Albakhtiyari , Mohammad Ali Takassi

DOI: 10.1007/S11164-015-2092-4

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摘要: In this study a synthetic method using TiCl3OTf-ionic liquid was reported for synthesis of 3,4-dihydropyrimidin-2(1H)-ones/thiones (3,4-DHPMs). Condensation reactions were carried out aldehydes, ethyl acetoacetate, and ammonium acetate. the reaction 1-butyl-3-methylimidazolium chloride ([bmim]Cl) used as an ionic in presence TiCl3OTf catalyst under solvent-free conditions at 140 °C. The advantages are high yield product, short time, reusable catalyst. A mechanism proposed condensation reaction, all steps suggested confirmed by density functional theory calculations B3LYP/6-311G level theory.

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