Synthesis of a tertiary amine by direct reductive amination of a carbonyl compound to form a scorpionate ligand; formation of Mn (II), Zn (II) and Cd (II) complexes, DFT calculations and, molecular docking studies

Abstract

A hexadentate, asymmetric tripodal scorpionate type ligand, [[N1-Pyridin-2-ylmethyl-N1-[2-(4-pyridine-2-ylmethyl-piperazine-1-yl)-ethyl]-ethane-1,2-diamine]] (L) has been prepared. To form this ligand, the direct reductive amination of a carbonyl compound by NaBH4 was used for the synthesis of tertiary amine. The complexes [MnL])ClO4(2, [CdL])ClO4(2, [ZnL])ClO4(2 have also been prepared. The synthesized compounds were characterized by elemental analyses, FT-IR, ESI-MS and, NMR spectroscopy. An X-ray crystal structure of [MnL] (ClO4)2, shows that the coordination environment around the manganese is a distorted trigonal prism. The nature of metal–ligand bonding in the complexes was investigate..