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<p>In the present work, we explore an ultrasound assisted domino synthesis of <i>N</i>-amino-2-pyridone derivatives through a reaction between cyanoacetohydrazide, malononitrile and various aldehydes. This synthesis prompted by robust and green basic ionic liquid viz. 1-[3-(dimethylamino)propyl]-1,4-diazabicyclo[2.2.2]octan-1-ium acetate i.e. [DMAP-DABCO]AcO. The basic catalyst accelerates the Knoevenagel reaction of aldehyde and malononitrile followed by cyclo-condensation of the arylidene malononitrile with cyanoacetohydrazide. The use of ultrasound enhances the reaction time <b>(30–45&#xa0;min)</b> and yield <b>(95–98%)</b> in comparison with conventional route of synthesis. This approach offers numerous advantages such as an&#xa0;ecofriendly and robust catalyst, mild reaction conditions, avoidance of corrosive, toxic, expensive catalysts and solvents, easy workup method, high yields of products in short reaction time. The sustainability of the proposed method was evaluated by calculating green chemistry metrics such as carbon efficiency (CE), atom economy (AE), and reaction mass efficiency (RME). Additionally, molecular docking studies were performed on the cyclin-dependent kinase 2 (CDK2) as a target protein to study the binding interactions. This study revealed that the prepared scaffolds could be further assessed for research as anticancer agents.</p> Graphical abstract <p></p>

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[DMAP-DABCO]AcO as a basic ionic liquid for ultrasound assisted domino synthesis of N-amino-2-pyridone derivatives and their molecular docking study

  • 期刊论文

  • 发表日期：

    2025年12月18日

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  • Pravin Kharade,
  • Dipak Gaikwad,
  • Santosh Chobe,
  • Uttam Chougale,
  • Satish Kadam,
  • Sneha Rochlani,
  • Savita Desai

摘要

In the present work, we explore an ultrasound assisted domino synthesis of N-amino-2-pyridone derivatives through a reaction between cyanoacetohydrazide, malononitrile and various aldehydes. This synthesis prompted by robust and green basic ionic liquid viz. 1-[3-(dimethylamino)propyl]-1,4-diazabicyclo[2.2.2]octan-1-ium acetate i.e. [DMAP-DABCO]AcO. The basic catalyst accelerates the Knoevenagel reaction of aldehyde and malononitrile followed by cyclo-condensation of the arylidene malononitrile with cyanoacetohydrazide. The use of ultrasound enhances the reaction time (30–45 min) and yield (95–98%) in comparison with conventional route of synthesis. This approach offers numerous advantages such as an ecofriendly and robust catalyst, mild reaction conditions, avoidance of corrosive, toxic, expensive catalysts and solvents, easy workup method, high yields of products in short reaction time. The sustainability of the proposed method was evaluated by calculating green chemistry metrics such as carbon efficiency (CE), atom economy (AE), and reaction mass efficiency (RME). Additionally, molecular docking studies were performed on the cyclin-dependent kinase 2 (CDK2) as a target protein to study the binding interactions. This study revealed that the prepared scaffolds could be further assessed for research as anticancer agents.

Graphical abstract