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Synthesis and Analysis of Substituted Bullvalenes
Oussama Yahiaoui1, Lukáš F Pašteka2,3,4, Bernadette Judeel1
1Institute of Natural and Mathematical Sciences, Massey University, 1/5 University Avenue, Albany, Auckland, 0632, New Zealand.
Abstract:
Herein we detail a practical synthesis of bullvalene and a variety of mono- and disubstituted analogues through cobalt-catalysed [6+2] cycloaddition of cyclooctatetraene to alkynes, followed by photochemical di-π-methane rearrangement. The application of isomer-network analysis, coupled with quantum-chemical calculations, provides a powerful automated tool for predicting the properties of bullvalene isomer networks.
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