This is the first general textbook on experimental design and optimization in organic synthesis. The book presents a unified methodology for carrying out systematic studies when the objective is to develop efficient and optimum synthetic methods. Strategies are included both for exploring the experimental conditions and for systematic studies of entire reaction systems (substrates, reagent(s) and solvents). The methodology is based on multivariate statistical techniques. The following topics are treated in depth: classical two-level designs for screening experiments, gradient methods (steepest ascent, simplex methods) as well as response surface techniques for optimization, principal components analysis and PLS modelling.The book is intended as a hands-on text for chemists and engineers engaged in developing synthetic methods in industrial research, e.g. in fine chemicals and pharmaceuticals production, as well as for advanced undergraduate students, graduate students, and researchers in an academic environment.
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Revised, and updated Design and Optimization in Organic Synthesis presents strategies to explore experimental conditions and methodologies for systematic studies of entire reaction systems (substrates, reagent(s), catalyst(s), and solvents). Chemical phenomena are not usually the result of a single factor and this book describes how statistically designed methods can be used to analyse and evaluate synthetic procedures. The methodology is based on multivariate statistical techniques. The accompanying CD contains data tables and programmes. This book is essential reading for anyone working in process design and development in fine chemicals or the pharmaceutical industry, and is suitable for those with no experience in the field.
* Contains recalculated models and redrawn figures, as well as new chapters on for example, the design of combinatorial libraries
* Presents strategies to explore experimental conditions and methodologies
* Enables the analysis and prediction of the best synthetic procedures
"This is a welcome re-issue for a modern classic of the organic chemistry literature. The author presents a revised and enlarged edition, incorporating some fresh material, updated references, and novel strategies. I would urge all organic chemists to read this book and become acquainted with these valuable tools. Provides methods by which good chemists will be able to do even better chemistry."
Derek Robinson, ORGANIC PROCESS RESEARCH AND DEVELOPMENT, 2005
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