Computed Properties of C19H18N2O2. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)methane, is researched, Molecular C19H18N2O2, CAS is 132098-59-0, about Bis(oxazoline)titanium complexes as chiral catalysts for enantioselective hydrosilylation of ketones – a combined experimental and theoretical investigation. Author is Bandini, Marco; Bernardi, Fernando; Bottoni, Andrea; Cozzi, Pier Giorgio; Miscione, Gian Pietro; Umani-Ronchi, Achille.
A combined exptl. and theor. investigation has been carried out on a new catalytic system, based on bis(oxazoline) (BOX) complexes of titanium. These catalytic species are able to reduce aromatic ketones with good enantiomeric excesses and satisfactory yields. The exptl. and the computational (DFT) evidence has provided useful information on the nature of the active catalytic species and on the mechanism of the reaction. The most likely reaction path involves a TiIV catalytic species. This result agrees with exptl. obtained evidence that seems to rule out the presence of TiIII species. The anal. of the structure of the transition state corresponding to the reduction process (the addition of the hydride to the carbonyl system), provides an interesting insight on the enantioselectivity that characterizes this reaction.
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