Novel Isoxazolone Based Azo Dyes: Synthesis, Characterization, Computational, Solvatochromic UV-Vis Absorption and Biological Studies
| Autor: | Sridhar M. A, Sandeep kumar Jain R, B. Manjunatha, Yadav D. Bodke, Lohith T. N |
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| Rok vydání: | 2021 |
| Předmět: |
010405 organic chemistry
Chemistry Band gap medicine.drug_class Organic Chemistry Solvatochromism Azo coupling 010402 general chemistry Antimycobacterial 01 natural sciences 0104 chemical sciences Analytical Chemistry Characterization (materials science) Inorganic Chemistry Molecular geometry Computational chemistry medicine Diffuse reflection Absorption (electromagnetic radiation) Spectroscopy |
| Zdroj: | Journal of Molecular Structure. 1244:130933 |
| ISSN: | 0022-2860 |
| Popis: | In this research investigation, novel isoxazolone-thiazole based azo dyes (Io1-Io4) were synthesized by a conventional azo coupling reaction at 0-5°C. The structure elucidation was precisely assessed using various spectroscopic techniques like FT-IR, NMR and HRMS. Through computational study, molecular geometry, mulliken atomic charges and global reactive descriptors were investigated to get a better insight into the molecular properties. Molecular electrostatic potential (MEP) and reduced density gradient analysis (RDG) were also examined. The solvatochromic UV-Vis absorption study was performed using different solvents. A diffuse reflectance study was carried out to determine the optical band gap of the synthesized novel dyes (Io1-Io4). Biological efficacy towards antimycobacterial and anti-inflammatory activity was examined and the results revealed that, the compounds showed very good antimycobacterial and anti-inflammatory activity. |
| Databáze: | OpenAIRE |
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