The influence of protonation on molecular structure and physico-chemical properties of gossypol Schiff bases

Org Biomol Chem. 2010 Dec 21;8(24):5511-8. doi: 10.1039/c0ob00288g. Epub 2010 Oct 19.

Abstract

Protonation of gossypol Schiff bases (S1 and S2), possessing different numbers of basic N-atoms, was studied using potentiometric, spectroscopic, ESI MS and PM5 methods. Titration of S1 and S2 with HClO(4), monitored by the FT-IR and (1)H NMR, indicated that the change from the enamine-enamine into the protonated imine-imine tautomeric form occurs at different Schiff base-H(+) ratio. The FT-IR and PM5 results show that for S1 the first protonation step occurs at Schiff base moiety whereas for S2 it is realised at N-atom of the morpholine. The formation of N(+)-HO hydrogen bond between morpholine moieties within S2 contributes to high pK(a(ACN)) = 22.65.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Gossypol / chemistry*
  • Hydrogen Bonding
  • Models, Molecular
  • Molecular Structure
  • Protons*
  • Schiff Bases / chemistry

Substances

  • Protons
  • Schiff Bases
  • Gossypol