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The Scientific World Journal
Volume 2012 (2012), Article ID 748251, 14 pages
http://dx.doi.org/10.1100/2012/748251
Research Article

Kinetic Analysis for Macrocyclizations Involving Anionic Template at the Transition State

Departamento de Química Inorgánica y Orgánica, Universitat Jaume I, E12071 Castellón de la Plana, Spain

Received 21 October 2011; Accepted 19 December 2011

Academic Editors: D. Savoia and I. Shibata

Copyright © 2012 Vicente Martí-Centelles et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

Several kinetic models for the macrocyclization of a C2 pseudopeptide with a dihalide through a SN2 reaction have been developed. These models not only focus on the kinetic analysis of the main macrocyclization reaction, but also consider the competitive oligomerization/polymerization processes yielding undesired oligomeric/polymeric byproducts. The effect of anions has also been included in the kinetic models, as they can act as catalytic templates in the transition state reducing and stabilizing the transition state. The corresponding differential equation systems for each kinetic model can be solved numerically. Through a comprehensive analysis of these results, it is possible to obtain a better understanding of the different parameters that are involved in the macrocyclization reaction mechanism and to develop strategies for the optimization of the desired processes.