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Beilstein J. Org. Chem. 2016, 12, 1616–1623, doi:10.3762/bjoc.12.158
Graphical Abstract
Figure 1: Intramolecular aryl–vinyl π-stacking interaction of a levoglucosenone derivative.
Scheme 1: Synthesis of acrylates 6a,b.
Figure 2: Vinyl region of the 1H NMR spectra of 6a–d in CDCl3 at 300 K.
Figure 3: Vinylic region of the low temperatures 1H NMR spectra of 6a in CDCl3.
Figure 4: M06-2X/6-31+G(d) Gibbs free energy profiles (in kcal/mol) computed for the conformational equilibri...
Scheme 2: Complexes between methyl acrylate (7) and representative anisole derivatives.
Figure 5: Comparison of the M06-2X/6-31+G(d) energy profiles (in kcal/mol) computed for 6d and 6b (in grey).
Figure 6: X-ray thermal ellipsoid plot of 6a (50% probability level) showing the labeling scheme (hydrogen an...