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چکیده
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In this study, we examined the practical and theoretical aspects of one of the most significant raw materials utilized in the synthesis of pyranoquinoline derivatives. We employed DABCO as a novel organic and green catalyst for the synthesis of these compounds [1]. Green Chemistry principles, the application of multicomponent reactions, the convenience of isolating catalysts, and the lack of toxic solvents absence of toxic solvents encourage us to use DABCO as a catalyst. We report a convenient, high-yielding, and facile procedure for the synthesis of synthesis of 2-amino-4H-pyranoquinoline using DABCO as a green catalyst [2]. Therefore, the mechanistic details of this reaction were investigated using density functional theory (DFT). All calculations were carried out using the Gaussian 09 package [3]. The geometries of all structure were optimized at the B3LYP/TZVP level of theory. In order to better understand the catalytic effect of DABCO, the pathways and the relative Gibbs free for this reaction, in the presence and absence of DABCO were investigated. The obtained results from DFT calculation support experimental findings and demonstrate that DABCO act as a good catalyst for this type of reactions.
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