首页> 外文期刊>Journal of Molecular Structure >An expedient pseudo four-component synthesis of dispiroindandione fused indeno-N-methylmorpholine, spectroscopic, X-ray diffraction and DFT studies
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An expedient pseudo four-component synthesis of dispiroindandione fused indeno-N-methylmorpholine, spectroscopic, X-ray diffraction and DFT studies

机译:双螺茚满二酮稠合的茚-N-甲基吗啉的假四组分合成方法,光谱,X射线衍射和DFT研究

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摘要

Synthesis of a novel heterocycle comprising N-methylmorpholine, spiroindandione and indenone units in good yield via one-pot pseudo four-component cascade cycloaddition reaction is described. The structure of the cycloadduct was elucidated by spectroscopic analysis and its complete stereochemistry was assigned by single crystal X-ray diffraction analysis. Further, the mechanistic rationalization for the formation of the hitherto unexpected cycloadduct is provided by performing density functional theory (DFT) calculations.
机译:描述了通过一锅式伪四组分级联环加成反应以高收率合成包含N-甲基吗啉,螺并茚满二酮和茚满酮单元的新型杂环。通过光谱分析阐明了环加合物的结构,并通过单晶X射线衍射分析确定了其完整的立体化学。此外,通过执行密度泛函理论(DFT)计算,提供了迄今为止未曾预料到的环加合物形成的机械合理性。

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