3 years ago

Heterocyclic azo dyes derived from 2-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one having benzothiazole skeleton: Synthesis, structural, computational and biological studies

M.R. Maliyappa, J Keshavayya, M.S. Sudhanva, I Pushpavathi, Vinod kumar

A series of novel benzothiazole based azo dyes were synthesized by diazotization of various substituted anilines coupling with 2-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one by the diazo-coupling reaction at 0-5 °C. The structural confirmation of the synthesized molecules was carried out by spectroscopic techniques such as UV-visible, FT-IR and 1H NMR, respectively and by theoretical methods. Further, the computational studies were employed to interpret the structural properties of the azo molecules by using B3LYP program at 6-31G (d, p) basis set. Furthermore, the synthesized compounds were screened against cell lines to reveal their cytotoxic property, results revealed moderate to good cytotoxic potential of few compounds.

Publisher URL: https://www.sciencedirect.com/science/article/pii/S0022286021014502

DOI: 10.1016/j.molstruc.2021.131321

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