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Optimization in organic synthesis. Sequential response surface modelling for obtaining kinetic information. Part 2: An experimental study of the williamson ether synthesis
Author(s) -
Axelsson AnnaKarin,
Nordahl Åke,
Carlson Rolf
Publication year - 1995
Publication title -
journal of chemometrics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.47
H-Index - 92
eISSN - 1099-128X
pISSN - 0886-9383
DOI - 10.1002/cem.1180090602
Subject(s) - chemistry , kinetic energy , kinetics , order of reaction , nucleophilic substitution , ether , activation energy , thermodynamics , work (physics) , williamson ether synthesis , reaction rate , reaction rate constant , organic chemistry , catalysis , physics , quantum mechanics
Abstract In this work the utility of a new method for determining kinetic parameters by sequential response surface modelling, previously described (Part 1), is shown by applying it to an experimental study of a reaction with known kinetics. The nucleophilic substitution reaction between ethoxide and benzyl chloride, the Williamson ether synthesis, was selected as a model reaction. This reaction is known to proceed with second‐order kinetics. The method gives access to estimates of initial reaction rate which can be further used to obtain estimates of activation energy and reaction order of reactants. The results obtained are in good agreement with the estimated values of these parameters obtained with conventional kinetic experiments.