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Identification of new catalysts to promote imidazolide couplings and optimisation of reaction conditions using kinetic modelling

Identification of new catalysts to promote imidazolide couplings and optimisation of reaction conditions using kinetic modelling

Bright, Robert, Dale, David J., Dunn, Peter J., Hussain, Farhat, Kang, Ying, Mason, Clive, Mitchell, John C. ORCID: 0000-0003-2945-3292 and Snowden, Martin J. (2004) Identification of new catalysts to promote imidazolide couplings and optimisation of reaction conditions using kinetic modelling. Organic Process Research & Development, 8 (6). pp. 1054-1058. ISSN 1083-6160 (Print), 1520-586X (Online) (doi:10.1021/op049874m)

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Abstract

Three catalysts were used to promote an imidazolide coupling. These catalysts were 2-hydroxypyridine (HOPy), endo-N-hydroxy-5-norbornene-2,3-dicarboximide (HONB) (both reported for the first time to catalyse this type of reaction), and 1-hydroxybenzotriazole (HOBt). The thermal safety, cost, and catalytic effectiveness of these three catalysts are compared. In addition, kinetic modelling using the Dynochem software was used to optimise the HOBt- and HOPy-catalysed reactions. By use of this simulation method, the optimal reaction conditions, such as catalyst quantity, reaction time, and reaction temperature were predicted. Subsequent experiments confirmed that the predictions were accurate.

Item Type: Article
Uncontrolled Keywords: identification, catalysts,imidazolide couplings, reaction conditions, kinetic modelling
Subjects: Q Science > Q Science (General)
Faculty / Department / Research Group: Faculty of Engineering & Science
Related URLs:
Last Modified: 14 Oct 2016 09:10
Selected for GREAT 2016: None
Selected for GREAT 2017: None
Selected for GREAT 2018: None
URI: http://gala.gre.ac.uk/id/eprint/4153

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