Design and optimization in organic synthesis /

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...

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Bibliographic Details
Main Author: Carlson, Rolf, 1946-
Other Authors: Carlson, Johan E., 1973-
Format: Electronic eBook
Language:English
Published: Amsterdam ; San Diego, CA : Elsevier, 2005.
Edition:2nd rev. and enl. ed.
Series:Data handling in science and technology ; v. 24.
Subjects:
Online Access:CONNECT
Table of Contents:
  • Strategies on different levels in organic synthesis
  • Experimental study of reaction conditions : initial remarks
  • Models as tools
  • General outline of screening experiments
  • Two-level factorial designs
  • Two-level fractional factorial designs
  • Other designs for screening experiments
  • Summary of screening experiments
  • Optimisation
  • Steepest ascent
  • Simplex methods
  • Response surface methods
  • Reaction kinetics by sequential response surface modelling
  • Summary of strategies for exploring the experimental space
  • The reaction space
  • Principal properties
  • Strategies for the selection of test systems
  • Quantitative relations : observed responses and experimental variations
  • Exploring discrete variations : near-orthogonal experiments by singular value decomposition
  • Optimization when there are several responses variables
  • A method for determining suitable order of introducing reagents in "one-pot" procedures.