取代布瓦尔烯的合成与分析。
Synthesis and Analysis of Substituted Bullvalenes.
机构信息
Institute of Natural and Mathematical Sciences, Massey University, 1/5 University Avenue, Albany, Auckland, 0632, New Zealand.
Centre for Theoretical Chemistry and Physics, NZIAS, Massey University, Oaklands Road, Albany, Auckland, 0632, New Zealand.
出版信息
Angew Chem Int Ed Engl. 2018 Mar 1;57(10):2570-2574. doi: 10.1002/anie.201712157. Epub 2018 Jan 31.
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.
在此，我们详细介绍了一种通过钴催化的环辛四烯与炔烃的[6+2]环加成反应，随后进行光化学的二-π-甲烷重排反应，从而实现对 bullvalene 及其各种单取代和双取代类似物的实用合成方法。异构体网络分析与量子化学计算的结合应用，为预测 bullvalene 异构体网络的性质提供了一种强大的自动化工具。
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