The Algebra of Organic Synthesis Green Metrics, Design Strategy, Route Selection, and Optimization

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 chemistry and reaction optimization.

Providing what is perhaps the first complete description of synthesis strategy analysis, this book:

• Explores quantitative material efficiency for synthesizing molecules, including 1,000+ worked out synthesis plans to important target molecules
• Explains, in simple language, the most useful ideas in graph theory that have direct application in organic synthesis
• Reinforces the value of simple mathematical analysis in organic synthesis to help any synthetics or process chemist understand presented ideas and apply them to their own work
• Illustrates concepts with example target plans to classical targets that are considered milestones in synthetic chemistry, from pharmaceuticals, industrial commodity chemicals, dyestuffs, agrichemicals, flavorings, natural products, and molecules of theoretical interest

The accompanying download includes a reproduction of the tables in the book, with direct electronic links to files for all plans. Files contain a list of references for each plan, including secondary references for the synthesis of starting materials if applicable. Ancillary materials also include a complete synthesis scheme with fully balanced chemical equations, a synthesis tree, a summary of green metrics parameters, a target bond map and list of reagents that end up in the target molecule, and a series of graphs that offer a visual depiction of the plan performance.

Aims and Scope. General Comments on Organic Chemistry and Green Chemistry. Problems with Literature Reporting of Synthesis Plans. Problems and Challenges in Synthesis and Green Chemistry. Overview of Green Metrics. Optimization. Named Organic Reaction Database. Example Transformations Illustrating Sacrificial Reagents. Synthesis Strategies. Ring Construction Strategies. Example Highlights from Database. Summary of Overall Trends in Synthesis Database. Compounds with Multiple Plans. Appendix A. Appendix B. Index.

John Andraos earned a Ph.D. in 1992 from the University of Toronto in physical organic chemistry. Since his appointment as Lecturer and Course Director at York University, he launched the first industrial and "green" chemistry course in the history of the Department of Chemistry. He has done consulting assignments with the pharmaceutical industry on various aspects of synthesis optimization and green chemistry education. His research spans several disciplines in organic chemistry which utilize mathematical analysis including reaction kinetics, retrosynthesis and synthesis planning, and the creation of reaction and ring construction databases. He is the author of 50 scientific papers in refereed journals and 6 book chapters on the subject of green chemistry metrics and education. In 2000 he launched the CareerChem website (http://www.careerchem.com/MainFrame.html) which is an in-depth resource for tracking and cataloguing all named things in chemistry and physics, chronicling the development of chemistry through scientific genealogies, and supplying career information to young researchers and students for placement in academic and industrial positions worldwide.