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<p>Silica-based iron trichloroacetate and trifluoroacetate prompted green synthesis of 4<i>H</i>-chromene-3-carboxamide have been achieved successfully by an economic, sustainable, and environment eco-friendly three-component one-pot reaction of aldehydes, acetoacetanilide, and dimedone. The current synthetic protocol offers several key features, including the ability to enable a wide range of functional groups, rapid reaction, excellent product yields, mild reaction conditions, solvent-free synthesis, and reusability of catalysts. In the current synthetic protocol, both catalysts work fabulously in water and many of the organic solvents; however, the best reaction results were attained at 80&#xa0;°C temperature via solvent-free medium with excellent reaction atom economy, effective mass yield, and mass efficiency. In addition, the DFT studies of 4<i>H</i>-chromene-3-carboxamides were also performed to showcase the capacity of computational chemistry for elucidating and forecasting the reactivities. As a result, the combination of computational chemistry and experiment straightforwardly became a powerful tool for developing the current synthetic protocol.</p> Graphical abstract <p></p>

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Silica-supported Iron trifluoroacetate and trichloroacetate Lewis acid prompted one-pot solvent-free green synthesis and DFT studies of 4H-chromene-3-carboxamide

  • 期刊论文

  • 发表日期：

    2025年2月26日

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  • Dnyaneshwar Purushottam Gholap,
  • Rohini Suradkar,
  • Ramdas Huse,
  • Aarti Belambe,
  • Machhindra K. Lande

摘要

Silica-based iron trichloroacetate and trifluoroacetate prompted green synthesis of 4H-chromene-3-carboxamide have been achieved successfully by an economic, sustainable, and environment eco-friendly three-component one-pot reaction of aldehydes, acetoacetanilide, and dimedone. The current synthetic protocol offers several key features, including the ability to enable a wide range of functional groups, rapid reaction, excellent product yields, mild reaction conditions, solvent-free synthesis, and reusability of catalysts. In the current synthetic protocol, both catalysts work fabulously in water and many of the organic solvents; however, the best reaction results were attained at 80 °C temperature via solvent-free medium with excellent reaction atom economy, effective mass yield, and mass efficiency. In addition, the DFT studies of 4H-chromene-3-carboxamides were also performed to showcase the capacity of computational chemistry for elucidating and forecasting the reactivities. As a result, the combination of computational chemistry and experiment straightforwardly became a powerful tool for developing the current synthetic protocol.

Graphical abstract