Effects of Structural Symmetry on NMR Spectra of 3,9-Diazatetraasteranes

Abstract The structural symmetry is of great significance on the unique physical and chemical properties that closely related to pharmacological applications. To investigate the effects of structural symmetry on the NMR spectra, C2-3,9-diazatetraasteranes and non-C2-3,9-diazatetraasteranes were selected as the research object. They were synthesized by the self-dimerization and cross-dimerization of diethyl 1,4-dihydropyridine-3,5-dicarboxylates, respectively. The differences and similarities in NMR spectra of these two types of 3,9-diazatetraasteranes were discussed by the 1D-NMR and 2D-NMR analysis. The single-crystal X-ray diffraction (XRD) was used to demonstrate directly their structural symmetry.