Scholarlink

<p>An environment benign, economically affordable, highly efficient and rapid protocol of 4-benzylidene-3-methyl isoxazol-5(4<i>H</i>)-ones (4a-l) synthesis were achieved via three-component one-pot reaction using commercially available substrates including aromatic aldehyde, hydroxylamine hydrochloride and ethyl acetoacetate. The solvent-free system, rapid reaction with prominent product yield, multiple reusability of catalyst without significant loss in catalytic efficiency and easy workup are the remarkable and notable features of current synthesis. In current synthesis, the best outcome was attained at a solvent-free system at 80&#xa0;°C optimal reaction temperature. Further, DFT studies were employed to investigate the reactivities and substitution impact of electron-donating groups and electron-withdrawing groups through the calculation of the HOMO–LUMO energy gap. Additionally, DFT analysis was exploit to determine the geometry optimization and molecular electrostatic potential (MEP) of the product (4a-l).</p> Graphical Abstract <p></p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Fe(OCOCF3)3·nH2O@SiO2 water competent Lewis acid: as a prominent and reusable catalyst for 4-benzylidene-3-methyl isoxazol-5(4H)-ones synthesis via solvent-free green approach and their DFT studies

  • 期刊论文

  • 发表日期：

    2025年5月19日

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

摘要

An environment benign, economically affordable, highly efficient and rapid protocol of 4-benzylidene-3-methyl isoxazol-5(4H)-ones (4a-l) synthesis were achieved via three-component one-pot reaction using commercially available substrates including aromatic aldehyde, hydroxylamine hydrochloride and ethyl acetoacetate. The solvent-free system, rapid reaction with prominent product yield, multiple reusability of catalyst without significant loss in catalytic efficiency and easy workup are the remarkable and notable features of current synthesis. In current synthesis, the best outcome was attained at a solvent-free system at 80 °C optimal reaction temperature. Further, DFT studies were employed to investigate the reactivities and substitution impact of electron-donating groups and electron-withdrawing groups through the calculation of the HOMO–LUMO energy gap. Additionally, DFT analysis was exploit to determine the geometry optimization and molecular electrostatic potential (MEP) of the product (4a-l).

Graphical Abstract