2-Pyridone (data page)

This page provides supplementary chemical data on 2-pyridone.

Analytical data

NMR spectroscopy

¹H-NMR

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

(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

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

IR spectroscopy

(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

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

References

• 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.
• 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.