Abstract

In this study, magnetic nanoparticles (Fe₃O₄ NPs) were employed as good support for N-piperidine sulfamic acid to prepare a novel nanocatalyst (SA-PPCA–Fe₃O₄ NPs). This nanocatalyst was then characterized by different techniques such as FT-IR, XRD, TGA, SEM, TEM and VSM. The catalytic activity of the SA-PPCA–Fe₃O₄ NPs was studied by one-pot preparation of pyrimido[4,5-c]pyridazines derivatives from three-component reactions of 1,3-dimethylthiobarbituric acid or 1,3-diethylthiobarbituric acid with different arylglyoxals and hydrazine monohydrate at ambient conditions. SA-PPCA–Fe₃O₄ NPs exhibited excellent advantages such as simplicity, high yields, short reaction time, easily separation using an external magnet, bio eco-friendly and recoverability and reusability with no remarkable loss of catalytic efficiency. In this work, density functional theory and modeling were reported to investigate of mechanism of the reaction. In fact, this study gives an insight into the mechanism of the pyrimido[4,5-c]pyridazines reaction in the presence of nanocatalyst of SA-PPCA–Fe₃O₄ NPs.

Graphic abstract

中文翻译：

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磁性纳米粒子上新型负载型N-哌啶氨基磺酸的合成，表征及环境条件下合成嘧啶并[4,5-c]哒嗪衍生物的纳米催化剂及DFT机理的理论研究

摘要

在这项研究中，磁性纳米颗粒（Fe ₃ O ₄ NPs）被用作N-哌啶氨基磺酸的良好载体，以制备新型纳米催化剂（SA-PPCA–Fe ₃ O ₄ NPs）。然后通过不同的技术，例如FT-IR，XRD，TGA，SEM，TEM和VSM对这种纳米催化剂进行表征。通过一锅法制备1,3-二甲基硫代巴比妥酸或1,3-二乙基硫代巴比妥酸的嘧啶并[4,5- c ]哒嗪衍生物，研究了SA-PPCA–Fe ₃ O ₄ NPs的催化活性。在环境条件下用不同的芳基乙二醛和肼一水合酸。SA-PPCA–Fe ₃ O ₄NP具有优异的优势，例如简单，高收率，反应时间短，易于使用外部磁体分离，生物环保，可回收性和可重复使用性，而催化效率却没有显着降低。在这项工作中，报道了密度泛函理论和建模以研究反应机理。实际上，这项研究提供了在SA-PPCA–Fe ₃ O ₄ NPs纳米催化剂存在下嘧啶并[4,5- c ]哒嗪反应机理的见解。

图形摘要