Abstract
•Iron(II) complex of Pyrazole based Schiff base.•X-ray crystal structure.•DNA binding and docking study.•Catalysis of Primary carbamates production.•DFT studies for mechanism frame.
The iron (II) complex, [Fe(H2L)(H2O)2](ClO4)2(H2O) (1) of Schiff base ligand H2L [5-Methyl-1-H-pyrazole-3-carboxylic acid (1-pyridin-2-yl-ethylidene)-hydrazide] was prepared and structurally determined by X-ray crystal analysis. The complex 1 is being hepta-coordinated mononuclear system that adopts pentagonal bipyramidal geometry. Moreover, the calf thymus DNA (CT-DNA) interaction with 1 was carried out by proper bio-physical methods. The complex 1 was observed to interact with CT-DNA by intercalation binding mode and the binding constant of this interaction was calculated as (1.5 ± 0.06) × 106 M−1 and that was obtained from fluorimetric spectral titration. Again the complex 1 is very much effective in the catalytic reaction of primary carbamate synthesis. In this procedure alcohols and eco-friendly sustainable carbonylation source urea were used for the synthesis of desired product. Both aromatic alcohols as well as aliphatic alcohols were efficiently proceeded through the catalytic reaction and produced medium to high yield (up to 94%) of carbamate products under mild reaction conditions. The catalytic mechanism was also supported by DFT studies.
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