化学
深共晶溶剂
环境友好型
绿色化学
催化作用
反应性(心理学)
溶剂
共晶体系
密度泛函理论
组合化学
分子轨道
有机化学
分子
计算化学
反应机理
病理
生物
替代医学
医学
合金
生态学
作者
Nontobeko Gcabashe,Gobind Kumar,Pule Seboletswe,Neha Manhas,Parvesh Singh
出处
期刊:Synlett
[Georg Thieme Verlag KG]
日期:2024-09-17
卷期号:36 (17): 2906-2914
被引量:1
摘要
Abstract This study introduces an efficient, environmentally friendly, and sustainable method for synthesizing N-acylhydrazone analogues by engaging isoniazid in a condensation reaction with variously substituted benzaldehydes. The deep-eutectic solvent (ZnCl2/urea) employed in this study acted not only as a solvent but also as a catalyst to facilitate the synthesis of the target compounds within two to six minutes without the requirement of any lengthy purification techniques. The synthetic protocol is operationally simple and offers other remarkable advantages such as a short reaction time, good to excellent yields, a scalable protocol, and a recyclable and reusable catalyst. Additionally, green metrics calculations suggest the present method to be environmentally benign. Finally, the frontier molecular orbitals and the global reactivity parameters of the synthesized compounds were predicted by using density functional theory calculations.
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