Design and Optimization in Organic Synthesis

Design and Optimization in Organic Synthesis PDF Author: Rolf Carlson
Publisher: Elsevier
ISBN: 0080455271
Category : Science
Languages : en
Pages : 594

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Book Description
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
ISBN: 0080455271
Category : Science
Languages : en
Pages : 594

Get Book Here

Book Description
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
ISBN: 0080868355
Category : Science
Languages : en
Pages : 553

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Book 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.

Design and Optimization in Organic Synthesis

Design and Optimization in Organic Synthesis PDF Author: Rolf Carlson
Publisher: Elsevier Science Limited
ISBN: 9780444515278
Category : Science
Languages : en
Pages : 574

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Book Description
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

The Algebra of Organic Synthesis

The Algebra of Organic Synthesis PDF Author: John Andraos
Publisher: CRC Press
ISBN: 1420093290
Category : Science
Languages : en
Pages : 1221

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Book Description
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

Organic Chemistry in Action

Organic Chemistry in Action PDF Author: F. Serratosa
Publisher: Elsevier
ISBN: 1483290921
Category : Science
Languages : en
Pages : 418

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Book Description
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.

Side Reactions in Organic Synthesis

Side Reactions in Organic Synthesis PDF Author: Florencio Zaragoza Dörwald
Publisher: John Wiley & Sons
ISBN: 3527604987
Category : Science
Languages : en
Pages : 389

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Book Description
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

Enabling Tools and Techniques for Organic Synthesis

Enabling Tools and Techniques for Organic Synthesis PDF Author: Stephen G. Newman
Publisher: John Wiley & Sons
ISBN: 1119855632
Category : Science
Languages : en
Pages : 500

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Book Description
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
ISBN: 9814271950
Category : Technology & Engineering
Languages : en
Pages : 831

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Book Description
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.

Organic Chemistry in Action

Organic Chemistry in Action PDF Author: Fèlix Serratosa
Publisher: Elsevier Science Limited
ISBN: 9780444819352
Category : Science
Languages : en
Pages : 540

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Book Description
The first edition of this book was welcomed with great enthusiasm by teachers and students. It therefore seemed opportune to publish a second, revised, updated and extended edition. Unfortunately, Professor F�lix Serratosa died before he could complete this task. Some new material has been added, the more significant changes being: 1) The book has been restructured into two well-differentiated sections: Part A, dealing with conventional organic synthesis, and Part B, devoted exclusively to computer-assisted organic synthesis and based on the former Chapter 11 and Appendices 2, 3 and 4 of the first edition. As decided in advance, Part B was to be the sole responsibility of Dr. Josep Xicart, who prepared the first versions of the CHAOS (Computerisation and Heuristics Applied to Organic Synthesis) program under the direction of Professor Serratosa. 2) In Chapter 1, emphasis is placed on new objectives and targets, as well as on the role that organic synthesis should play in the future in new areas of supramolecular chemistry and bioorganic chemistry. 3) A more extended discussion on synthetic methods and strategies based on radical carbon-carbon bond-forming reactions has been included (Chapter 7). 4) Some new examples to illustrate the heuristic principles have been incorporated (Chapter 4). 5) The chapter on alicyclic stereoselection has been split into two chapters (9 and 10). Chapter 10, which is exclusively devoted to Sharpless''s asymmetric epoxidation and dihyroxylation, has been written de novo. The most recent advances in catalytic stereoselective aldol are incorporated in Chapter 9. 6) In Chapter 11, which is new, the aim is to firstly, present a panoramic view of the most important methods for preparation of optically pure compounds in industrial scale (chirotechnology) and secondly, to give a brief insight into the new biological synthetic methodologies, such as the use of enzymes and catalytic monoclonal antibodies or abzymes, which are becoming more and more important and familiar to the synthetic organic chemist. 7) The chapter dealing with examples of retrosynthetic analysis and the corresponding total synthesis has been enlarged and includes new syntheses of natural products (Chapter 13). 8) The former Chapter 11 and Appendices 2, 3 and 4 devoted to computer assisted organic synthesis have been rewritten and constitute now Part B of the book. The following changes have been introduced: i) CHAOS version 3.0 for Macintosh and version 1.0 for PC Windows� substitute CHAOS version 2.0 for IBM PC and compatibles, ii) The corresponding Instruction Manuals and Disconnection Tables of these new versions are included, iii) two 3� inch diskettes with the new versions of CHAOS and CHAOSDBASE replace the diskette of version 2.0, iv) a new Appendix (Appendix B-1) with a brief introduction to Ugi''s Theory of Constitutional Chemistry and to the programs EROS and IGOR has also been added. 9) The main improvements in CHAOS version 3.0 for Macintosh are: i) The unique numbering or canonical matrices, ii) new disconnections, which are more selective, iii) besides RINGS and SYNTHETICALLY SIGNIFICANT RINGS, the new version gives, if required, the PRIMARY RINGS. Other new options are SELECT and RESIZE in the menu EDIT, by which one can select part of a synthetic sequence or resize the molecule drawing, iv) the possibility to introduce new disconnections from inside the program CHAOS itself and work (if desired) with one''s own chemistry, through CHAOSBASE. The aim of this program is to create DATABASES of new DISCONNECTIONS. Such DATABASES can be opened from the program CHAOS in such a manner that it allows to disconnect molecules according to the DISCONNECTIONS defined in the DATABASE (instead of disconnecting according to predefined ones implemented in CHAOS). 10) Mistakes and errors detected in the first edition have been corrected.

Organic Synthesis, Natural Products Isolation, Drug Design, Industry and the Environment

Organic Synthesis, Natural Products Isolation, Drug Design, Industry and the Environment PDF Author: Chhanda Mukhopadhyay
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3111244075
Category : Science
Languages : en
Pages : 358

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Book Description
Over the years, applications of various non-conventional solvents diversified in various fields such as organic synthesis, natural products, drug design, pharmaceuticals, dyes and agrochemical industries. This book consists of nine chapters, which present recent advances and applications of various non-conventional solvents in organic transformations, drug design and bioremediation. Environmental impacts of non-conventional solvents and comparison between traditional solvents and non-conventional solvents are also discussed in this book.