Cis-enol tautomerism of Ethyl-۲, ۴-dioxo-۴-phenyl butanoate: A theoret ical study

It is well known that the cis-enol fo rm of ȕ-diketones is characteriz ed by a s trong intram olecular hydrogen bond [۱-۴]. Ethy l-۲,۴-dioxo -۴-phenyl b utanoate (ED PB) is stabilized by a relatively str ong intramolecular hyd rogen bond (IHB). Two different isomeric cis -enol forms are disting uishable in EDPB. The EDPB۱ is t he most stable conform er of EDP B. An inter conversion occurs by transfer of enol proton form one oxygen atom to the other atom [۵]

کلیدواژه ها:

Cis enol tautomerism ، Ethyl-۲ ، ۴-dioxo-۴ -phenylbuta noate ، Dens ity function theory ، proton tra nsfer