Unprecedented formation of ruthenium 2-mercaptobenzothiazole complex

The CS2 insertion of ruthenium chloride complex Tp(Ph2CNH)(PPh3)Ru-Cl (1) in the presence of CH3OH resulted in the O-methyldithiocarbonate complex Tp(PPh3)Ru (κ2-S2COCH3) (3). Attractively, the analogous reaction with CS2 in the presence of PhN3 in toluene at reflux led to unprecedented formation of the ruthenium 2-mercaptobenzothiazole complex Tp(PPh3)Ru(κ2-S,N-NCS2C6H4) (4), possibly via the C-H activation of an imido intermediate. Theoretical calculations support the proposed mechanism.