Kinetic Understanding Using NMR Reaction Profiling

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• 作者：Flavien Susanne ; David S. Smith ; Anna Codina
• 刊名：Organic Process Research & Development
• 出版年：2012
• 出版时间：January 20, 2012
• 年：2012
• 卷：16
• 期：1
• 页码：61-64
• 全文大小：720K
• 年卷期：v.16,no.1(January 20, 2012)
• ISSN：1520-586X

文摘

The combination of kinetic understanding and reaction modeling has been successfully applied to the development of processes from laboratory to manufacturing plant. Although extensively used in bulk chemistry, polymers, and the oil industry [Bayer Technology Services, http://www.bayertechnology.cn/uploads/media/0707_e_300dpi.pdf, July 2011; Lawrence Livermore National Laboratory, nologies/ft010_pitz_2 011_o.pdf," class="extLink">http://www1.eere.energy.gov/vehiclesandfuels/pdfs/merit_review_2011/fuel_technologies/ft010_pitz_2 011_o.pdf,July 2011; Shin, S. B.; Han, S. P.; Lee, W. J.; Chae, J. H.; Lee, D. I.; Lee, W. H.; Urban, Z. Hydrocarbon Process. 2007, April) 83; Baumer, C.; Urban, Z. Hydrocarbon Process. 2007, June) 71], it has not been exploited to its full potential in the pharmaceutical industry. We present a fast and efficient methodology for kinetic modeling of chemical reactions using ¹H NMR reaction monitoring that can be used for the process understanding and development of active pharmaceutical ingredients. The parameters that are important for the development of a good, reliable model for the prediction and optimization of reaction conditions are discussed. The hydrolysis of acetic anhydride was chosen to illustrate the methodology because it is mechanistically and kinetically well established.