Artículos de revistas
Structural characterization of two novel potential anticholinesterasic agents
Registro en:
Journal Of Molecular Structure. Elsevier Science Bv, v. 657, n. 41699, n. 191, n. 198, 2003.
0022-2860
WOS:000185420500021
10.1016/S0022-2860(03)00367-3
Autor
Oliveira, PR
Wiectzycosky, F
Basso, EA
Goncalvesc, RAC
Pontes, RM
Institución
Resumen
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. 657 41699 191 198