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Synthesis, computational studies and antioxidant activity of some 3-(2-alkylamino-4-aminothiazole-5-oyl)pyridines
Indian Journal of Chemistry, Section B Pub Date : 2021-04-15
S Mahil Rani, J Brindha, T F Abbs Fen Reji

A series of thiazoloylpyridine derivatives has been synthesized and analyzed to confirm the structure of the product using IR, 1H and 13C NMR, mass spectra and analytical data. Optimized structural and electronic parameters of all the compounds have been calculated by using B3LYP/ 6-31G basis set. The Mulliken charges of all atoms have been evaluated. The calculated IR spectrum has been analyzed by comparing the experimental IR. All the synthesized compounds have been examined for antioxidant activities. The antioxidant activity of 3-(2-alkylamino-4-aminothiazol -5-oyl)pyridines have been analyzed using DPPH radical scavenging assay. The compounds 6a and 6b possess higher radical scavenging activity.

中文翻译:

某些3-(2-烷基氨基-4-氨基噻唑-5-酰基)吡啶的合成,计算研究和抗氧化活性

已合成了一系列噻唑基吡啶吡啶衍生物,并使用IR,1 H和13 C NMR,质谱和分析数据进行了分析,以确认产物的结构。使用B3LYP / 6-31G基集计算了所有化合物的最佳结构和电子参数。已经评估了所有原子的Mulliken电荷。已通过比较实验IR分析了计算得出的IR光谱。已经检查了所有合成的化合物的抗氧化活性。使用DPPH自由基清除测定法分析了3-(2-烷基氨基-4-氨基噻唑-5-烷基)吡啶的抗氧化活性。化合物6a6b具有较高的自由基清除活性。
更新日期:2021-04-15
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