Cyclisation of novel amino oxo esters to tetramic acids - Density functional theory study of the reaction mechanism
Detsi, A., Afantitis, A., Athanasellis, G., Markopoulos, J., Igglessi-Markopoulou, O. and Skylaris, C.K. (2003) Cyclisation of novel amino oxo esters to tetramic acids - Density functional theory study of the reaction mechanism. European Journal of Organic Chemistry, (23), 4593-4600. (doi:10.1002/ejoc.200300422).
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The synthesis of novel N-urethane-protected -methylamino--oxo esters and their use as precursors for the preparation of N-methyltetramic acids is described. The presence of the bulky urethane protecting group on the nitrogen atom gives rise to rotational isomers detectable in the NMR spectra of the compounds, along with the keto/enol tautomerism. The mechanism of the cyclisation reaction of -amino--oxo esters to tetramic acids was studied theoretically by the B3LYP hybrid density functional method.
|Digital Object Identifier (DOI):||doi:10.1002/ejoc.200300422|
|Keywords:||acylation, cyclization, density functional theory, medicinal chemistry|
Q Science > QD Chemistry
|Divisions :||University Structure - Pre August 2011 > School of Chemistry
|Accepted Date and Publication Date:||
|Date Deposited:||31 Jul 2008|
|Last Modified:||31 Mar 2016 12:33|
|RDF:||RDF+N-Triples, RDF+N3, RDF+XML, Browse.|
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