Protonation-triggered conformational modulation of an N,N'-dialkylbispidine: first observation of the elusive boat-boat conformer

Org Biomol Chem. 2013 Oct 7;11(37):6292-9. doi: 10.1039/c3ob41122b.

Abstract

Modulation of the solution conformations of N,N'-bis(benzhydryl)bispidine has been achieved by protonation. Conformers have been characterized by NMR spectroscopy using nuclear Overhauser effects and residual dipolar couplings. In contrast to the preference for the chair-chair conformation for the free base and the monoprotonated species, the diprotonated bispidine is revealed to exist as a mixture of chair-boat and boat-boat conformers. While boat-boat conformers of bispidines have previously not been detected, they are here observed to constitute up to 70% of the bispidine population.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Bridged Bicyclo Compounds, Heterocyclic / chemistry*
  • Crystallography, X-Ray
  • Magnetic Resonance Spectroscopy
  • Molecular Conformation
  • Protons*

Substances

  • Bridged Bicyclo Compounds, Heterocyclic
  • Protons
  • bispidine