2-Pyridone (data page)

Summary

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This page provides supplementary chemical data on 2-pyridone.

Analytical data edit

NMR spectroscopy edit

 

1H-NMR edit

1H-NMR (400 MHz, CD3OD): /ρ = 8.07 (dd,3J = 2.5 Hz,4J = 1.1 Hz, 1H, C-6), 7.98 (dd,3J = 4.0 Hz,3J = 2.0 Hz, 1H, C-3), 7.23 (dd,3J = 2.5 Hz,3J = 2.0 Hz, 1H, C-5), 7.21 (dd,3J = 4.0 Hz,4J = 1.0 Hz, 1H, C-4).

13C-NMR edit

(100.57 MHz, CD3OD): ρ = 155.9 (C-2), 140.8 (C-4), 138.3 (C-6), 125.8 (C-3), 124.4 (C-5)

UV/Vis spectroscopy edit

(MeOH):νmax (lg ε) = 226.2 (0.44), 297.6 (0.30).

IR spectroscopy edit

(KBr): ν = 3440 cm−1–1 (br, m), 3119 (m), 3072 (m), 2986 (m), 1682 (s), 1649 (vs), 1609 (vs), 1578 (vs), 1540 (s), 1456 (m), 1433 (m), 1364 (w), 1243 (m), 1156 (m), 1098 (m), 983 (m), 926 (w), 781 (s), 730 (w), 612 (w), 560 (w), 554 (w), 526 (m), 476 (m), 451 (w).

Mass spectrometry edit

EI-MS (70 eV): m/z (%) = 95 (100) [M+], 67 (35) [M+ - CO], 51 (4)[C4H3+].

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References edit

  • Cox, R. H.; Bothner-By, A. A. (1969). "Proton magnetic resonance spectra of tautomeric substituted pyridines and their conjugate acids". The Journal of Physical Chemistry. 73 (8): 2465. doi:10.1021/j100842a001.
  • DW Aksnes (1972). "Substituent and solvent effects in the proton magnetic resonance (PMR) spectra of six 2-substituted pyridines" (PDF). Acta Chemica Scandinavica. 26: 2255–2266. doi:10.3891/acta.chem.scand.26-2255.
  • Brügel, W. (1962). "Die Kernresonanzspektren von Pyridin-Derivaten". Zeitschrift für Elektrochemie, Berichte der Bunsengesellschaft für physikalische Chemie. 66 (2): 159–177. doi:10.1002/bbpc.19620660211. S2CID 98754100.
  • Roberts, J. D.; Von Ostwalden, P. W. (1971). "Nuclear magnetic resonance specroscopy. Proton spectra of 2-pyridones". The Journal of Organic Chemistry. 36 (24): 3792. doi:10.1021/jo00823a029.