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Published on: February 20, 2020
Lewis Acid Assisted Brønsted Acid Catalysed Decarbonylation of Isocyanates: A Combined DFT and Experimental Study
Ayan Dasgupta1, Yara van Ingen1, Michael G Guerzoni1
1Cardiff Catalysis Institute, School of Chemistry, Cardiff University main Building, Park Place, Cardiff, CF10 3AT, Cymru/Wales, United Kingdom.
Abstract:
An efficient and mild reaction protocol for the decarbonylation of isocyanates has been developed using catalytic amounts of Lewis acidic boranes. The electronic nature (electron withdrawing, electron neutral, and electron donating) and the position of the substituents (ortho/meta/para) bound to isocyanate controls the chain length and composition of the products formed in the reaction. Detailed DFT studies were undertaken to account for the formation of the mono/di-carboxamidation products and benzoxazolone compounds.
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