The potential to bias chemical reaction pathways is a significant goal for physicists and material researchers to design revolutionary materials.Recently, two-dimensional materials have appeared as a promising candidate for exploring novel catalyst activity in organic reaction. In this context, herein we report an easy and efficient synthesis of substituted benzodiazepines in high yields through the graphene-based mesoporous TiO 2 nanocomposite (Gr@TiO 2 NCs) catalyst. To validate the merits of the Gr@TiO 2 NCs as a catalyst, we have also designed TiO 2 nanoparticle (NPs) under similar conditions. Successful comprehension realization of Gr@TiO 2 NCs and TiO 2 NPs were concluded from the XRD, SEM, HR-TEM, EDS elemental mapping, FT-IR, Raman, UV-Vis and TGA analysis. Gr@TiO 2 NCs has the propitious catalyst performance (~98%) over the TiO 2 NPs (~77%), which could be scrutinized in terms of graphene support toward the TiO 2 NPs and enable the large contact area between graphene and TiO 2 NPs. Incorporated graphene maintaining TiO 2 as a catalytically active and attracting electron to site isolation, as well as protecting TiO 2 from oxidative degradation during the reaction. Moreover, the role of graphene is suggested to prolonged reaction duration, yield and unaltered throughout the reaction because of the π-π interaction between graphene and TiO 2 NPs. Additionally, the catalyst is recycled by filtration and reprocessed six times without having a significant loss in its catalytic activity.