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首页> 外文期刊>European Journal of Medicinal Chemistry: Chimie Therapeutique >Click chemistry: studies on the synthesis of novel fluorous tagged triazol-4-yl substituted quinazoline derivatives and their biological evaluation--theoretical and experimental validation.
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Click chemistry: studies on the synthesis of novel fluorous tagged triazol-4-yl substituted quinazoline derivatives and their biological evaluation--theoretical and experimental validation.

机译：点击化学：研究新型荧光标记三唑-4-基取代喹唑啉衍生物的研究及其生物学评价 - 理论与实验验证。

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摘要

The formation of N- and O-propargylated quinazoline derivatives 2, 3 from quinazol-4-ones 1 was theoretically predicted by optimizations at B3LYP/6-31G* level, analysed kinetically and thermodynamically. Theoretical predictions are validated by experiment to observe the trends and found deviation. Thus, compound 1 was propargylated in basic media to obtain compound 2 and 3 in definite proportions. Each compound was further subjected to [3+2] cycloaddition using perfluoroalkyl azides through Click reaction under Sharpless conditions, and obtained a series of novel perfluoroalkyl-1H,1,2,3-triazol-4-yl substituted quinazolines 4, 5, and 6. All the compounds were screened for antimicrobial activity and identified potential compounds.
机译：通过B3LYP / 6-31G *水平的优化，理论上预测来自喹唑-4-喹唑啉1的N-和O-丙基喹啉喹唑啉衍生物2,3的形成，在动力学和热力学上分析。 通过实验验证理论预测，以观察趋势并发现偏差。 因此，化合物1在碱性培养基中是丙烯基化的，得到化合物2和3以明确的比例。 通过在不良条件下通过点击反应，通过点击反应进一步对每个化合物进行[3 + 2]环加成，并获得一系列新的全氟烷基-1H，1,2,3-三唑-4-基取代的喹唑啉4,5和 6.筛选所有化合物用于抗微生物活性并确定潜在的化合物。

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