AbstractIn first part, boehmite nanoparticles were synthesized using aqueous solutions of NaOH and Al(NO3)3 ⋅ 9H2O. Then, it surface was modified by 3‐choloropropyltrimtoxysilane, and further 1,3‐bis(pyridin‐3‐ylmethyl)thiourea was anchored on the modified boehmite nanoparticles. In the final step, a neodymium complex was stabilized on its surface (Nd‐bis(PYT)@boehmite NPs). The obtained nanoparticles were characterized by TGA, BET, ICP, EDS, WDX, SEM, and XRD techniques. In the second part, Nd‐bis(PYT)@boehmite NPs were employed as an efficient, recoverable, and organic‐inorganic hybrid nanocatalyst in the homo‐selective synthesis of tetrazole compounds. The chemoselectivity of Nd‐bis(PYT)@boehmite NPs was studied in the [3+2] cycloaddition of phthalonitrile and sodium azide (NaN3). This catalyst is stable and has heterogeneous nature therefore it can be recovered and used again for several consecutively run without any re‐activation