Dasgupta, Ayan, van Ingen, Yara, Guerzoni, Michael G., Farshadfar, Kaveh, Rawson, Jeremy M., Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Ariafard, Alireza and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2022. Lewis acid assisted Brønsted acid catalysed decarbonylation of Isocyanates: a combined DFT and experimental study. Chemistry - A European Journal 28 (45) , e202201422. 10.1002/chem.202201422 |
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License URL: http://creativecommons.org/licenses/by/4.0/
License Start date: 13 May 2022
Official URL: https://doi.org/10.1002/chem.202201422
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.
Item Type: | Article |
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Date Type: | Publication |
Status: | Published |
Schools: | Chemistry Cardiff Catalysis Institute (CCI) |
Additional Information: | License information from Publisher: LICENSE 1: URL: http://creativecommons.org/licenses/by/4.0/ |
Publisher: | Wiley |
ISSN: | 0947-6539 |
Funders: | EPSRC |
Date of First Compliant Deposit: | 22 June 2022 |
Date of Acceptance: | 18 May 2022 |
Last Modified: | 09 Aug 2023 09:00 |
URI: | https://orca.cardiff.ac.uk/id/eprint/150644 |
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