Influence of relative configuration of disubstituted cyclopentanes and -hexanes on 13C shifts.
(13)C shifts of disubstituted cyclopentane and cyclohexane derivatives were compared in dependence on the relative configuration of the two substituents. A diequatorial substitution correlates with deshielding compared to other substitution patterns. Some novel fluorinated cyclopentanes and -hexanes including their DFT calculation-assisted structure elucidation are described.
Winkler
Margit
M
Institute of Organic Chemistry, Graz University of Technology, A-8010 Graz, Stremayrgasse 16, Austria. mw60@st-andrews.ac.uk
Klempier
Norbert
N
Weber
Hansjörg
H
Grünwald
Katrin R
KR
Flock
Michaela
M
Dransfeld
Alk
A
D002247:Carbon Isotopes; D003198:Computer Simulation; D003510:Cyclohexanes / Q000138:chemical synthesis / Q000737:chemistry*; D003517:Cyclopentanes / Q000138:chemical synthesis / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods* / Q000592:standards*; D008956:Models, Chemical; D015394:Molecular Structure; D012015:Reference Standards; D013237:Stereoisomerism
D002247:Carbon Isotopes; D003510:Cyclohexanes; D003517:Cyclopentanes