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
Author(s): Rolf Carlson and Johan E. Carlson (Eds.)
Series: Data Handling in Science and Technology 24
Edition: 2nd
Publisher: Elsevier, Academic Press
Year: 2005
Language: English
Pages: 1-574
Content:
Foreword by Trevor Laird
Pages vii-viii
Trevor Laird
Preface to the second edition
Pages ix-x
Rolf Carlson, Johan E. Carlson
Acknowledgements
Page xi
Rolf Carlson, Johan E. Carlson
Preface to the first edition
Pages xi-xiii
Rolf Carlson
Chapter 1 Introduction: Strategies on different levels in organic synthesis
Pages 1-13
Chapter 2 Experimental study of reaction conditions. Initial remarks Original Research Article
Pages 15-25
Chapter 3 Models as tools Original Research Article
Pages 27-66
Chapter 4 general outline of screening experiments Original Research Article
Pages 67-85
Chapter 5 Two-level factorial designs Original Research Article
Pages 87-117
Chapter 6 Two-level fractional factorial designs Original Research Article
Pages 119-168
Chapter 7 Other designs for screening experiments Original Research Article
Pages 169-193
Chapter 8 Summary of screening experiments Original Research Article
Pages 195-199
Chapter 9 Optimisation Original Research Article
Pages 201-205
Chapter 10 Steepest ascent Original Research Article
Pages 207-217
Chapter 11 Simplex methods Original Research Article
Pages 219-241
Chapter 12 Response surface methods Original Research Article
Pages 243-319
Chapter 13 Reaction kinetics by sequential response surface modelling Original Research Article
Pages 321-338
Chapter 14 Summary of strategies for exploring the experimental space Original Research Article
Pages 339-342
Chapter 15 The reaction space Original Research Article
Pages 343-349
Chapter 16 Principal properties Original Research Article
Pages 351-401
Chapter 17 strategies for the selection of test systems Original Research Article
Pages 403-424
Chapter 18 Quantitative relations: Observed responses and experimental variations Original Research Article
Pages 425-469
Chapter 19 Exploring discrete variations: Near-orthogonal experiments by singular value decomposition Original Research Article
Pages 471-487
Chapter 20 Optimization when there are several responses variables Original Research Article
Pages 489-507
Chapter 21 A method for determining suitable order of introducing reagents in “one-pot” procedures Original Research Article
Pages 509-515
Chapter 22 Books, journals, and computer programs Original Research Article
Pages 517-525
Chapter 23 Concluding remarks Original Research Article
Pages 527-533
Epiloue
Page 535
Appendix A Matrix algebra
Pages 537-550
Appendix B Statistical tables
Pages 551-561
Index
Pages 562-574
