NMR chemical shifts and coupling constants of various nuclei of N,N-diethylbenzenesulfenamide,N,N-diethylbenzeneseleneamide and some related sulfur amides |
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| Institution: | 1. Department of Chemistry, University of Oulu, SF-90570 Oulu, Finland;2. Department of Medical Physics, University of Helsinki, SF-00170 Helsinki, Finland;1. Anhui Provincial Key Laboratory of Photonic Devices and Materials, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China;2. Key Lab of Novel Thin Film Solar Cells, Chinese Academy of Sciences, Hefei 230031, China;1. Department of Medicinal Chemistry, Merck Research Laboratories, PO Box 4, Sumneytown Pike, West Point, PA 19486, United States;2. Department of Neuroscience, Merck Research Laboratories, PO Box 4, Sumneytown Pike, West Point, PA 19486, United States;3. Department of Drug Metabolism, Merck Research Laboratories, PO Box 4, Sumneytown Pike, West Point, PA 19486, United States;4. Department of In Vitro Pharmacology, Merck Research Laboratories, PO Box 4, Sumneytown Pike, West Point, PA 19486, United States;1. Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China;2. Center of Interventional Oncology and Liver Diseases, Beijing You’an Hospital, Capital Medical University, Beijing 100069, China;3. College of Life Sciences, Beijing University of Chemical Technology, Beijing 100029, China |
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| Abstract: | The 77Se, 15N, 13C and 1H NMR parameters have been determined for N,N-diethylbenzenesulfen- and N,N-diethylbenzeneseleneamide and the 1H13C coupling constants additionally for N,N-dimethylmethanesulfinamide, N,N-dimethylbenzenesulfinamide, N,N-dimethylmethanesulfonamide, N,N-dimethylbenzenesulfonamide and diphenylsulfone. The nitrogen-15 nucleus is slightly more shielded in the sulfenamide than in the seleneamide. Compared to sulfin- and sulfonamides the nitrogen nuclei of these amides are more shielded. The solvent effects on the chemical shift of both selenium-77 and nitrogen-15 nuclei are observable. The nitrogen-15 chemical shifts of sulfur and seleneamides are less sensitive to the solvents than those of carboxamides. This change in the nitrogen-15 chemical shift in sulfen- and seleneamide is the same order of magnitude, but opposite in direction compared with that in sulfon- and sulfinamides. The 1H13C direct aromatic coupling constants increase along with the increasing oxidation state of sulfur in sulfur amides, being greatest in sulfonamides. |
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