• Experimental and computational (AM1, MNDO, PM3) studies on the hydrolysis rates of ethylene ketals in 1,3-cyclohexanediones

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    • Keywords


      Ketal hydrolysis; carbocation stability; AM1 calculations; β- substituent effect

    • Abstract


      The relative hydrolysis rates of cyclohexanone ethylene ketals having different substituents at theβ- carbon, such as H2, (OCH2)2, (SCH2)2, =O, were determined at 20°C in aqueous H2SO4-silica gel-CH2Cl2 medium. The observed kinetic trend of H2>(OCH2)2>(SCH2)2>=O is correlated with calculated ΔH values (AM1, MNDO and PM3) for the ionisation ofβ-substituted cyclohexanes to the corresponding cations.

    • Author Affiliations


      A Nangia1 P S Chandrakala1

      1. School of Chemistry, University of Hyderabad, Central University PO, Hyderabad - 500 046, India
    • Dates

  • Journal of Chemical Sciences | News

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