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

Autor: Farhat Hussain, John C. Mitchell, David J. Dale, Robert Bright, Ying Kang, Martin J. Snowden, Peter J. Dunn, Clive Mason
Jazyk: angličtina
Rok vydání: 2004
Předmět:
ISSN: 1083-6160
Popis: 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.
Databáze: OpenAIRE