1,1,4,4,7,7-Hexamethylcyclononane: synthesis and crystal structure

Abstract
1,1,4,4,7,7-Hexamethylcyclononane (2) has been synthesised by PtO2-catalysed hydrogenation of tris-trans-homobenzene (1) at room temperature, 2 is a crystalline compound with m.p. 85 °C whose structure has been determined by a crystal structure analysis. This reveals a twisted boat–chair conformation (TBC) of approximate D3 symmetry for 2 with the gem-dimethyl groups bonded to carbon atoms lying on one of the three C2 axes of that form. The same conformation for 2 is also found in solution at room temperature by inspection of its 1H and 13C NMR spectra.

This publication has 14 references indexed in Scilit: