1,3–dipolar cycloaddition reactions are the ones which have been widely used for many years in the synthesis of five–membered heterocyclic compounds, take an important place in organic chemistry. Even though they are very useful, they have been used in the synthesis of significant natural products since early 1980s. In this study, we examined intramolecular synthesis of tricyclic products with the Click Reaction mechanisms, theoretically. The use of azide substituted five and six membered cyclic starting materials and provided obtaining heterotricyclic compounds in one step. Derivatization was performed by changing the ring size (m) and varying substitüent (R). The reaction coordinates for all reactions were formed upon finding intermediates and transition states.
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Theoretical Application of Click Reaction to Obtain Heterotricyclic Compounds
Published:
01 November 2016
by MDPI
in The 20th International Electronic Conference on Synthetic Organic Chemistry
session Computational Chemistry
Abstract:
Keywords: Click Reaction, 1,3-dipolar cycloaddition reactions, transition states, DFT, IRC