Automated lineshape analysis of complex NMR spectra for a novel synthetic tetrafluorobisphosphonate, a potential ligand for phosphoglycerate kinase

GRAPHICAL ABSTRACT

ABSTRACT

Tetraalkyl 1,1,3,3-tetrafluoro-2,2-dihydroxypropane-1,3-bisphosphonates were prepared. The complex ³¹P{¹H}- and ¹⁹F-NMR spectra were analyzed as [[A]₂X]₂ and related systems. Modern methods of automated spectral analysis using DAISY under WIN-NMR were applied.

KEYWORDS:

• Tetraalkyl 1,1,3,3-tetrafluoro-2,2-dihydroxypropane-1,3-bisphosphonates
• synthesis
• NMR

Funding

G. Hägele acknowledges material support from the Fonds der Chemischen Industrie and a grant from Academic Research Collaboration (British Council/DAAD). G. M. Blackburn acknowledges financial support from the BBSRC (to A. J. Ivory) and a Research Studentship (to D. L. Jakeman).