Azepinones. Part 2. 1H and 13C NMR spectra of 1-substituted, 1,2-disubstituted, and 1,2,2-trisubstituted 1H-azepin-3(2H)-ones
Abstract
The 1H and 13C NMR parameters of the 1H-azepin-3(2H)-one system are assigned and discussed. Typical values, for the 1-methyl derivative (1) are as follows: 2-position, δH 3.57. δC 62.25, 1JCH141.4, 3J4-H and 3J7-Hca. 4 Hz (with unresolved coupling to the N-methyl group); 3-position, δC180.21, 2J2-H 3.7 and 4J7-H 11.6 Hz; 4-position, δH 6.17, 3J4,5 11.0 Hz, δC 123.33, 1JCH159.6 and 3J6-H 8.3 Hz; 5-position, δH 6.84, 3J4,5 11.0, and 3J5,6 9.1 Hz, δC 142.01, 1JCH 151.7, and 3J7-H 8.2 Hz; 6-position, δH 5.17, 3J5,6 9.1 and 3J6,7 7.2 Hz, δC 99.41, 1JCH 161.7, 2J7-H 4.4 and 3J4-H 10.5 Hz; 7-position, δH 6.72, 3J6,7 7.2 Hz, δC 147.19, 1JCH 169.8, 3J2-Hca. 5 3J5-Hca. 9 and 2J6-Hca. 4 Hz (with unresolved coupling to the N-methyl group).