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Reaction Mechanism of 2-Amido-2-Aminoacetic Acid-Formation from Amides and 2-Iminoacetic Acid: A DFT-study and Wavefunction Analysis

submitted on 08.12.2020, 12:00 and posted on 09.12.2020, 07:56 by Georg Dazinger

Based on a study of Wei Zeng et. al.[7], where the synthesis of gem-diamino acid esters from 2-iminoacetic acid esters and amides, with various N- and C-substituents, respectively, is reported, a modeled reaction, where the latter substituents were replaced by H, was simulated by means of DFT. A reasonable reaction mechanism was found for the formation of 2-amido-2-aminoacetic acid from formamide and 2-iminoacetic acid. Moreover, possible side reactions were simulated and discussed.


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