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| - Conformational Studies by Dynamic NMR. 84. Structure,Conformation, and Stereodynamics of the Atropisomers ofN-Aryl-tetrahydropyrimidines
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| - The existence of stereolabile atropisomers for a number of N-aryl-tetrahydropyrimidines in solutionhas been deduced from the observation of the anisochronous NMR signals of prochiral methylenegroups. The interconversion barriers for these atropisomers have been measured by line shapeanalysis of dynamic NMR spectra at various temperatures: a Molecular Mechanics modelingresulted in good agreement with these values. In an appropriate case, distinct NMR signals forthe two enantiomeric forms could be observed at ambient temperature in a chiral environment.Evidence was also obtained for an exchange process occurring between two conformers experiencinga very biased equilibrium. Single-crystal X-ray diffraction of one such compound yielded a molecularstructure in good agreement with the results obtained by ab initio calculations.
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