A Study of Structure and Dynamics of Prochiral N-C Axis for Asymmetric Transition Metal Catalysis,With Phosphorous-31 (V) By 3D NMR Spectroscopy Combined With MO Calculation

摘要

We have synthesized five kinds of prochiral N-C axis for asymmetric transition metal catalysis with phosphorus-31 (V) and investigated their mobility in solution by measuring Z~(31)P NMR spin-lattice relaxation time (Tl).l-(S)-N-[2-(diphenylphosphinyl)naphthyl-2-(hydroxylmethyl)pyrrolidine;compound (1b),and l-(S)-N-[2-(diphenylphosphinyl)naphthyl]-2-(pyrrolidinyl-methyl pyrroridine;compound (1e) was assigned on the basis of NMR spectral data.From the vicinal ~(31)P - ~1H and ~1H - ~(13)C coupling constants of J resolution spectra on the 3D NMR spectra,the dihedral angles of compounds (1b),and (le) were determined.The optimum stable structures of these compounds were obtained on the basis of NMR spectral data combined with molecular orbital calculations.