Studies on the reaction of benzo[x]quinoline N-oxides (X = f, h, and g) with methylsulfinyl carbanion using the semi-empirical molecular orbital method. Liberation of the N-oxide group.
The mechanism of the liberation reaction of the N-oxide group has been studied and compared with the methylation reaction using a semi-empirical molecular orbital PM3 method. By comparing the calculated values of Gibbs free energy of activation, we can determine whether a liberation reaction or methylation reaction occurs.
Matsuzaki
H
H
Tohoku Pharmaceutical University, Sendai, Japan.
Takeuchi
I
I
Hamada
Y
Y
D003497:Cyclic N-Oxides / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008745:Methylation; D008956:Models, Chemical; D008958:Models, Molecular; D010087:Oxides / Q000737:chemistry*; D011804:Quinolines / Q000737:chemistry*
D003497:Cyclic N-Oxides; D010087:Oxides; D011804:Quinolines