NMR Chemical Shifts of Trace Impurities: Industrially Preferred Solvents Used in Process and Green Chemistry

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• 作者：Nicholas R. Babij ; Elizabeth O. McCusker ; Gregory T. Whiteker ; Belgin Canturk ; Nakyen Choy ; Lawrence C. Creemer ; Carl V. De Amicis ; Nicole M. Hewlett ; Peter L. Johnson ; James A. Knobelsdorf ; Fangzheng Li ; Beth A. Lorsbach ; Benjamin M. Nugent ; Sarah J. Ryan ; Michelle R. Smith ; Qiang Yang
• 刊名：Organic Process Research & Development
• 出版年：2016
• 出版时间：March 18, 2016
• 年：2016
• 卷：20
• 期：3
• 页码：661-667
• 全文大小：1026K
• ISSN：1520-586X

文摘

The ¹H and ¹³C NMR chemical shifts of 48 industrially preferred solvents in six commonly used deuterated NMR solvents (CDCl₃, acetone-d₆, DMSO-d₆, acetonitrile-d₃, methanol-d₄, and D₂O) are reported. This work supplements the compilation of NMR data published by Gottlieb, Kotlyar, and Nudelman ( J. Org. Chem. 1997, 62, 7512) by providing spectral parameters for solvents that were not commonly utilized at the time of their original report. Data are specifically included for solvents, such as 2-Me-THF, n-heptane, and iso-propyl acetate, which are being used more frequently as the chemical industry aims to adopt greener, safer, and more sustainable solvents. These spectral tables simplify the identification of these solvents as impurities in NMR spectra following their use in synthesis and workup protocols.