Abstract

The multicomponent cascade reaction of Sc3N@Ih-C80 with 3,6-di(pyridin-2-yl)-1,2,4,5-tetrazines, water, and oxygen unexpectedly affords the pyrazoline-fused Sc3N@Ih-C80 derivatives. The obtained endohedral metallofullerene derivatives have been characterized by various spectral means, and their structures have been unambiguously established by single-crystal X-ray crystallography. A possible reaction mechanism via a complicated sequence of Diels-Alder reaction, retro Diels-Alder reaction, hydration, rearrangement, and dehydrogenation processes is proposed for the formation of pyrazoline-fused metallofullerenes.

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