Simultaneous characterization of a mixture of fluorochemicals using three-dimensional 19F-1H heteronuclear TOCSY filtered/edited NMR experiments

J Org Chem. 2007 Aug 3;72(16):6259-62. doi: 10.1021/jo070658w. Epub 2007 Jun 30.

Abstract

Heteronuclear 19F-1H cross-polarization can be used effectively as a tool for both spectral filtering and editing in the NMR analysis of the increasing number of fluorine-containing compounds encountered in drug discovery. Combined with LC-MS, three-dimensional 19F-1H heteronuclear TOCSY filtered experiments based on this approach have enabled the simultaneous identification of a mixture of closely related dexamethasone derivatives without the need for isolation.

MeSH terms

  • Chromatography, Liquid / methods
  • Dexamethasone / chemistry
  • Fluorenes / chemistry*
  • Fluorine Radioisotopes / chemistry
  • Magnetic Resonance Spectroscopy / instrumentation*
  • Magnetic Resonance Spectroscopy / methods*
  • Mass Spectrometry
  • Models, Chemical
  • Molecular Conformation
  • Molecular Structure
  • Spectrophotometry, Ultraviolet

Substances

  • Fluorenes
  • Fluorine Radioisotopes
  • fluorene
  • Dexamethasone