Preparation and Characterization of 2,7-Diaminophenazine Supported on Nanocellulose as Novel Recyclable Nanocatalyst for Synthesis of Isoxazolo[4,3-e]indazole Derivatives and Theoretical Study on the Mechanism using a DFT Method

In this study, 2,7-Diaminophenazine supported on nanocellulose (DAP@CNC) was designed. The prepared nanocatalyst was characterized with various analytical techniques such as FTIR, XRD, TGA, SEM, TEM, and CHN. Nanocatalyst used for the synthesis of isoxazolo[4,3-e]indazole derivatives via the nucleophilic substitution of a hydrogen in 5-nitro-1-p-tolyl-1H-indazole with different 2-phenylacetonitrile derivatives in basic medium. Also, we did this reaction with KOH as other catalyst. The mechanism of the reaction investigated by density functional theory based modeling is also reported. Simple procedure, high yields, short reaction time and environmentally benign method are advantages of this protocol. The nanocatalyst was readily separated by filter and reusable without significant loss of its catalytic efficiency.