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Conformation‐activity relationships in diethylmethyl‐2‐[ p ‐( o ‐alkyloxy‐benzamido)benzoyloxy]ethylammonium bromides in solution as detected by one‐ and two‐dimensional 1 H NMR spectroscopy
Author(s) -
Sega Alessandro,
Gaggelli Elena,
Valensin Gianni
Publication year - 1985
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260230810
Subject(s) - chemistry , nuclear magnetic resonance spectroscopy , amide , stereochemistry , pulse sequence , two dimensional nuclear magnetic resonance spectroscopy , organic chemistry , nuclear magnetic resonance , physics
The relative conformation of the aromatic rings and the amide bridge of a series of diethylmethyl‐2‐[ p ‐( o ‐alkyloxybenzamido)benzoyloxy]ethylammonium bromides has been established by a combined analysis of non‐selective, single‐selective and double‐selective pulse experiments. Relevant details of the main conformation adopted in solution by the alkyloxy and the diethylmethyl‐2‐benzoylosyethylammonium side‐chains have been obtained by 1 H{ 1 H} NOE and 1 H two‐dimensional NMR analysis. Molecular Dreiding models were used as a basis of comparison.