Unveiling the Reaction Machinery of the [Au-I]-Catalyzed Synthesis of Substituted Acenes by a [1,5]-H Shift Cascade Reaction

作者：Bandini Marco^*; Cera Gianpiero; Miscione Gian Pietro^*

来源：ChemCatChem, 2017, 9(2): 316-321.

DOI：10.1002/cctc.201601113

• arenes
• gold
• hydrides
• rearrangement
• transition states

The reaction mechanism of the gold-catalyzed synthesis of functionalized acenes via cascade [3,3]-oxo migration/[1,5]-H shift is documented by DFT calculations. Interestingly, the overall reaction machinery displays a notable exothermic profile and the pivotal role played by the metal center in the initial [1,3]-acyloxy migration of 1 was also discovered. Contrarily, contribution of the gold complex in the H shift was negligible as the energy profiles of the gold-based and metal-free protocols are very similar in the latest stage.

• 出版日期2017-1