[01] Selcuk Gumus, Department of Chemistry, Yuzuncu Yil University, Campus, Van, Turkey. [02] Ahmet Maras, Department of Chemistry, Ataturk University, Erzurum, Turkey.

The methyl derivative 4-Oxo-2(E)-alkenoic acid has been synthesized from maleic anhydride and methyl lithium. The potential reasons for the relatively low yield have been tried to explain by theoretical calculations. DFT computations showed that all the reaction taking part requires some energy to go over the activation barrier, however, the reactions are highly exothermic and the driving force for the reactions is the stability of the last products.

4-Oxo-2(E)-alkenoic Acid, Maleic Anhydride, DFT, Energy Profile

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