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Type: Artigo de periódico
Title: Structural characterization of two novel potential anticholinesterasic agents
Author: Oliveira, PR
Wiectzycosky, F
Basso, EA
Goncalvesc, RAC
Pontes, RM
Abstract: Two novel compounds with possible anticholinesterase activity have been synthesized containing a carbamate and a dimethylamine group in 1,2-positions of a cyclohexane ring (cis and trans isomers). Conformer populations were established by a combination of NMR H-1 coupling constant analysis and DFT (B3LYP/6-311 + G(d,p)) calculations. C-13 chemical shifts were calculated in order to confirm signal attributions. The cis isomer adopts a conformation in which the carbamate group lies at the axial position (>99%), whereas the trans isomer adopts a diequatorial arrangement (98%). These preferences have been explained in terms of syn-1,3-diaxial interactions of the individual groups. (C) 2003 Elsevier B.V. All rights reserved.
Subject: anticholinesterasic
conformational analysis
nuclear magnetic resonance
theoretical calculations
Country: Holanda
Editor: Elsevier Science Bv
Citation: Journal Of Molecular Structure. Elsevier Science Bv, v. 657, n. 41699, n. 191, n. 198, 2003.
Rights: fechado
Identifier DOI: 10.1016/S0022-2860(03)00367-3
Date Issue: 2003
Appears in Collections:Unicamp - Artigos e Outros Documentos

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