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Kouki Matsubara - One of the best experts on this subject based on the ideXlab platform.

Hideo Nagashima - One of the best experts on this subject based on the ideXlab platform.

Raju Ranjith Kumar - One of the best experts on this subject based on the ideXlab platform.

Kenneth I. Hardcastle - One of the best experts on this subject based on the ideXlab platform.

  • Unexpected σ bond rupture during the reaction of N-methyl-1,2,4-triazoline-3,5-dione with Acenaphthylene and indene.
    The Journal of organic chemistry, 2014
    Co-Authors: Gary W. Breton, Joshua S. Hughes, Timothy J. Pitchko, Kenneth L. Martin, Kenneth I. Hardcastle
    Abstract:

    The reaction of N-methyl-1,2,4-triazoline-3,5-dione (MeTAD) with Acenaphthylene and indene leads not only to the formation of the expected [2 + 2] diazetidine cycloadducts but also to unexpected 2:1 adducts of MeTAD with substrate. The structures of the products derived from Acenaphthylene were confirmed by X-ray crystallography. A similar distribution of products was afforded from indene. The 2:1 adducts appear to derive from a diradical intermediate, the radical centers of which are strongly stabilized by the bridging urazoyl ring and benzylic delocalization. The triplet states of these diradical intermediates may be trapped via exposure to molecular oxygen to afford oxygen-containing adducts. Computational studies at the (U)B3LYP/6-31G* level provide additional support for the conclusions of our experimental work.

Masaji Oda - One of the best experts on this subject based on the ideXlab platform.