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      https://www.ias.ac.in/article/fulltext/jcsc/132/0108

    • Keywords

       

      Domino reaction; isoxazoles; metal-free synthesis; multi-component reaction; organocatalysis; DFT

    • Abstract

       

      An expeditious, metal-free protocol has been demonstrated for the synthesis of isoxazolone derivatives using domino multi-component strategy. The envisaged methodology involves the L-valine promoted three-component cyclo-condensation reaction of alkylacetoacetates, hydroxylamine hydrochlorideand aldehydes in ethanol under reflux. The reaction proceeded to deliver the desired products in good to excellent yields (74–97%), exhibited good functional group tolerance and completed in less than 4 min with most of the substrates. High yields, short reaction time, noncorrosive organocatalyst, mild reaction conditions, clean reaction profiles and the absence of any tedious workup or purification are the beneficial features of this process. Moreover, quantum computational study has been performed at B3LYP/6-311G??(d, p) level toinvestigate the various DFT based molecular descriptors, HOMO–LUMO energy gap and electrostatic potential surface properties of the synthesized product

    • Author Affiliations

       

      PARTEEK KOUR1 MONIKA AHUJA2 PRATIBHA SHARMA2 ASHOK KUMAR2 ANIL KUMAR1

      1. Synthetic Organic Chemistry Laboratory, Faculty of Sciences, Shri Mata Vaishno Devi University, Katra 182 320, Jammu and Kashmir, India
      2. School of Chemical Sciences, Devi Ahilya University, Indore 452 001, Madhya Pradesh, India
    • Dates

       
  • Journal of Chemical Sciences | News

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