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O–CN Bond Cleavage of Cyanates by a Transition-Metal Complex

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journal contribution
posted on 13.02.2012, 00:00 by Kozo Fukumoto, AbdelRahman A. Dahy, Tsukuru Oya, Kazumasa Hayasaka, Masumi Itazaki, Nobuaki Koga, Hiroshi Nakazawa
O–CN bond cleavage of cyanates (ROCN) has been achieved at room temperature in the reaction of ROCN with a methyl Fe, Mo, or W complex. A mechanistic investigation involving DFT calculations revealed that silyl migration from Mo to the CN nitrogen gave an N-silylated η2-imidato Mo complex. This intermediate analogue was isolated and characterized by X-ray analysis. Catalytic O–CN bond cleavage was achieved using Cp­(CO)3MoMe under thermal conditions.