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Lewis Acid Assisted Brønsted Acid Catalysed Decarbonylation of Isocyanates: A Combined DFT and Experimental Study - data
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posted on 2024-09-18, 11:29 authored by Ayan DasguptaAyan Dasgupta, Yara Van IngenYara Van Ingen, Michael GuerzoniMichael Guerzoni, Kaveh Farshadfar, Jeremy Rawson, Emma RichardsEmma Richards, Alireza Ariafard, Rebecca MelenRebecca MelenAn efficient and mild reaction protocol for the decarbonylation of isocyanates has been developed using catalytic amounts of Lewis acidic boranes. Detailed DFT studies were undertaken to account for the formation of the mono/di-carboxamidation products and benzoxazolone compounds. The dataset includes compound characterisation data for the compounds synthesised in this work.
Research results based upon these data are published at https://doi.org/10.1002/chem.202201422
Funding
A mechanistic understanding of metal-free catalysis using Lewis acidic boranes (2020-06-01 - 2022-06-30); Melen, Rebecca. Funder: Universities Wales
Single or Double? A radical approach to synthesis via frustrated Lewis Pairs (2020-06-01 - 2025-01-15); Richards, Emma. Funder: The Leverhulme Trust:RPG-2020-16
From Organic to Inorganic Chemistry: Exploiting the Isolobal Analogy to Develop Main Group Catalysts
Engineering and Physical Sciences Research Council
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