Synthesis and Analysis of Substituted Bullvalenes.

Angew Chem Int Ed Engl

Institute of Natural and Mathematical Sciences, Massey University, 1/5 University Avenue, Albany, Auckland, 0632, New Zealand.

Published: March 2018

AI Article Synopsis

  • The text describes a method for synthesizing bullvalene and related compounds using a cobalt-catalyzed cycloaddition process followed by a photochemical rearrangement.
  • It emphasizes the use of isomer-network analysis and quantum-chemical calculations to effectively predict the properties of these bullvalene isomers.
  • This approach combines practical laboratory techniques with advanced computational tools to enhance the understanding and development of bullvalene chemistry.

Article 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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http://dx.doi.org/10.1002/anie.201712157DOI Listing

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