Search results for "Cinchonine"
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A combined NMR, DFT, and X-ray investigation of some cinchona alkaloid O-ethers.
2008
Structures and conformational behavior of several cinchona alkaloid O-ethers in the solid state (X-ray), in solution (NMR and DFT), and in the gas phase (DFT) were investigated. In the crystal, O-phenylcinchonidine adopts the Open(3) conformation similar to cinchonidine, whereas the O-methyl ether derivatives of both cinchonidine and cinchonine are packed in the Closed(1) conformation. Dynamic equilibria in solutions of the alkaloids were revealed by combined experimental-theoretical spin simulation/iteration techniques for the first time. In the (1)H NMR spectra in CDCl3 and toluene-d8 at room temperature, Closed(1) conformation was observed for the O-silyl ethers as a separate set of sign…
CCDC 638684: Experimental Crystal Structure Determination
2009
Related Article: I.Busygin, V.Nieminen, A.Taskinen, J.Sinkkonen, E.Toukoniitty, R.Sillanpaa, D.Yu.Murzin, R.Leino|2008|J.Org.Chem.|73|6559|doi:10.1021/jo8008462