Design and Optimization in Organic Synthesis

Design and Optimization in Organic Synthesis PDF

Author: Rolf Carlson

Publisher: Elsevier

Published: 2005-04-08

Total Pages: 594

ISBN-13: 0080455271

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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

Design and Optimization in Organic Synthesis

Design and Optimization in Organic Synthesis PDF

Author: Rolf Carlson

Publisher: Elsevier Science Limited

Published: 2005

Total Pages: 574

ISBN-13: 9780444515278

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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

Design and Optimization in Organic Synthesis

Design and Optimization in Organic Synthesis PDF

Author: R. Carlson

Publisher: Elsevier

Published: 1991-11-21

Total Pages: 553

ISBN-13: 0080868355

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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.

The Algebra of Organic Synthesis

The Algebra of Organic Synthesis PDF

Author: John Andraos

Publisher: CRC Press

Published: 2016-04-19

Total Pages: 1221

ISBN-13: 1420093290

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The Algebra of Organic Synthesis combines the aims, philosophies, and efforts involved in organic synthesis, reaction optimization, and green chemistry with techniques for determining quantitatively just how "green" synthesis plans are. It provides the first complete quantitative description of synthesis strategy analysis in the context of green ch

Side Reactions in Organic Synthesis

Side Reactions in Organic Synthesis PDF

Author: Florencio Zaragoza Dörwald

Publisher: John Wiley & Sons

Published: 2006-03-06

Total Pages: 389

ISBN-13: 3527604987

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Most syntheses in the chemical research laboratory fail and usually require several attempts before proceeding satisfactorily. Failed syntheses are not only discouraging and frustrating, but also cost a lot of time and money. Many failures may, however, be avoided by understanding the structure-reactivity relationship of organic compounds. This textbook highlights the competing processes and limitations of the most important reactions used in organic synthesis. By allowing chemists to quickly recognize potential problems this book will help to improve their efficiency and success-rate. A must for every graduate student but also for every chemist in industry and academia. Contents: 1 Organic Synthesis: General Remarks 2 Stereoelectronic Effects and Reactivity 3 The Stability of Organic Compounds 4 Aliphatic Nucleophilic Substitutions: Problematic Electrophiles 5 The Alkylation of Carbanions 6 The Alkylation of Heteroatoms 7 The Acylation of Heteroatoms 8 Palladium-Catalyzed C-C Bond Formation 9 Cyclizations 10 Monofunctionalization of Symmetric Difunctional Substrates

Organic Chemistry in Action

Organic Chemistry in Action PDF

Author: F. Serratosa

Publisher: Elsevier

Published: 2013-10-22

Total Pages: 418

ISBN-13: 1483290921

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Contrary to all other books in the field of organic synthesis, this volume combines Corey's methodology, which is based on the concept of synthon and retrosynthetic analysis, with Evans' methodology based on the `Lapworth model' of alternating polarities. Using this approach, the formation of carbon-carbon bonds and the manipulation of functional groups are treated together, whereas the stereochemical aspects are considered separately. Emphasis is laid on the importance of rigid structures, whether in the starting materials, the synthetic intermediates or the transition states, as a means of controlling the stereochemistry of the organic compounds. Enclosed with the book is a copy of a miniprogram (CHAOS) for an IBM PC, or fully compatible computers, which is an interactive program, affording the beginner a fast and easy way of learning, exploring and looking for new synthetic schemes of molecules of moderate complexity. As a textbook on organic synthesis, this volume will be of immense value at university level.

Enabling Tools and Techniques for Organic Synthesis

Enabling Tools and Techniques for Organic Synthesis PDF

Author: Stephen G. Newman

Publisher: John Wiley & Sons

Published: 2023-09-26

Total Pages: 500

ISBN-13: 1119855632

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Provides the practical knowledge of how new technologies impact organic synthesis, enabling the reader to understand literature, evaluate different techniques, and solve synthetic challenges In recent years, new technologies have impacted organic chemistry to the point that they are no longer the sole domain of dedicated specialists. Computational chemistry, for example, can now be used by organic chemists to help predict outcomes, understand selectivity, and decipher mechanisms. To be prepared to solve various synthetic problems, it is increasingly important for chemists to familiarize themselves with a range of current and emerging tools and techniques. Enabling Tools and Techniques for Organic Synthesis A Practical Guide to Experimentation, Automation, and Computation provides a broad overview of contemporary research and new technologies applied to organic synthesis. Detailed chapters, written by a team of experts from academia and industry, describe different state-of-the-art techniques such as computer-assisted retrosynthesis, spectroscopy prediction with computational chemistry, high throughput experimentation for reaction screening, and robotic and automated data collection methods. Emphasizing real-world practicality, the book includes chapters on programming for synthetic chemists, Machine Learning (ML) in chemical synthesis, concepts and applications of computational chemistry, and more. Highlights the most recent methods in organic synthesis and describes how to employ these techniques in a reader’s own research Familiarize readers with the application of computational chemistry and automation technology in organic synthesis Introduces synthetic chemists to electrochemistry, photochemistry, and flow chemistry Helps readers comprehend the literature, assess the strengths and limitations of each technique, and apply those tools to solve synthetic challenges Provides case studies and guided examples with graphical illustrations in each chapter Enabling Tools and Techniques for Organic Synthesis: A Practical Guide to Experimentation, Automation, and Computation is an invaluable reference for scientists needing an up-to-date introduction to new tools, graduate students wanting to expand their organic chemistry skills, and instructors teaching courses in advanced techniques for organic synthesis.

Recent Advances in Sustainable Process Design and Optimization

Recent Advances in Sustainable Process Design and Optimization PDF

Author: Dominic C. Y. Foo

Publisher: World Scientific

Published: 2012

Total Pages: 831

ISBN-13: 9814271950

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This book is a compilation of the various recently developed techniques emphasizing better chemical processes and products, with state-of-the-art contributions by world-renowned leaders in process design and optimization. It covers various areas such as grass-roots design, retrofitting, continuous and batch processing, energy efficiency, separations, and pollution prevention, striking a balance between fundamental techniques and applications. The book also contains industrial applications and will serve as a good compilation of recent industrial experience for which the process design and optimization techniques were applied to enhance sustainability. Academic researchers and industrial practitioners will find this book useful as a review of systematic approaches and best practices in sustainable design and optimization of industrial processes. The book is accompanied by some electronic supplements (i.e., models and programs) for selected chapters.

Synthesis, Design, and Resource Optimization in Batch Chemical Plants

Synthesis, Design, and Resource Optimization in Batch Chemical Plants PDF

Author: Thokozani Majozi

Publisher: CRC Press

Published: 2015-03-04

Total Pages: 450

ISBN-13: 1482252422

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The manner in which time is captured forms the foundation for synthesis, design, and optimization in batch chemical plants. However, there are still serious challenges with handling time in batch plants. Most techniques tend to assume either a fixed time dimension or adopt time average models to tame the time dimension, thereby simplifying the resu

Chemical Process Design, Simulation and Optimization

Chemical Process Design, Simulation and Optimization PDF

Author: Jean-Pierre Corriou

Publisher:

Published: 2021

Total Pages: 352

ISBN-13: 9783036500973

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The book presents a series of articles devoted to modeling, simulation, and optimization of processes, mainly chemical. General methods for process modeling and numerical simulation are described with flowsheeting. Population balances are addressed in detail with application to crystal production; energy saving is frequently optimized, including exergy analysis. The coupling between process simulation and computational fluid dynamics is studied for air classification and bubble columns. Pressure swing adsorption, reactive distillation, and nanofiltration are explained in general and applied to particular processes. The synthesis of carbon dots is solved by the design of experiments method. A safety study addresses the consequences of gas explosion.