Design and Optimization in Organic Synthesis ( 3 )

Publication series :3

Author: Carlson   R.  

Publisher: Elsevier Science‎

Publication year: 1991

E-ISBN: 9780080868356

P-ISBN(Paperback): 9780444892010

P-ISBN(Hardback):  9780444892010

Subject: O621.3 Organic synthesis chemistry.

Language: ENG

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Description

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.

Chapter

Cover

pp.:  1 – 5

Copyright Page

pp.:  5 – 6

Dedication

pp.:  6 – 8

TOC$Contents

pp.:  8 – 18

Foreword

pp.:  18 – 22

CH$Chapter 2. Experimental study of reaction conditions. Initial remarks

pp.:  36 – 48

CH$Chapter 3. Models as tools

pp.:  48 – 92

CH$Chapter 4. General outline for screening experiments

pp.:  92 – 106

CH$Chapter 5. Two-level factorial designs

pp.:  106 – 140

CH$Chapter 6. Two-level fractional factorial design

pp.:  140 – 196

CH$Chapter 7. Other designs for screening experiments

pp.:  196 – 218

CH$Chapter 8. Summary of screening experiments

pp.:  218 – 224

CH$Chapter 9. Introduction to optimization

pp.:  224 – 228

CH$Chapter 10. Steepest ascent

pp.:  228 – 242

CH$Chapter 11. Simplex methods

pp.:  242 – 266

CH$Chapter 12. Response surface methods

pp.:  266 – 342

CH$Chapter 13. Summary of strategies to explore the experimental space

pp.:  342 – 348

CH$Chapter 14. The Reaction space

pp.:  348 – 354

CH$Chapter 15. Principal properties

pp.:  354 – 446

CH$Chapter 16. Strategies for the selection of test systems

pp.:  446 – 468

CH$Chapter 17. Quantitative relations between observed responses and experimental variations

pp.:  468 – 510

CH$Chapter 18. A method for determining a suitable order of introducing reagents in "one-pot" procedures

pp.:  510 – 516

CH$Chapter 19. Concluding remarks

pp.:  516 – 548

IDX$Index

pp.:  548 – 554

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