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Theoretical features of macrocyclization equilibria and their application on transacetalation based dynamic libraries
Author(s) -
Di Stefano Stefano
Publication year - 2010
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.1674
Subject(s) - chemistry , dynamic equilibrium , combinatorial chemistry , computational chemistry
The theoretical treatment of macrocyclization reactions under thermodynamic control is overviewed in the light of recent growing interest toward Dynamic Combinatorial Chemistry (DCC). The rules governing the equilibrium processes in Dynamic Library (DL) under conditions of perfect mass balance are illustrated. Data related to transacetalation reactions of cyclophane formaldehyde acetals are thoroughly discussed as remarkable examples of systems where experiments and theory make a good match. Copyright © 2010 John Wiley & Sons, Ltd.