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, δ_H 3.57. δ_C 62.25, ¹J_CH141.4, ³J_4-H and ³J_7-Hca. 4 Hz (with unresolved coupling to the N-methyl group); 3-position, δ_C180.21, ²J_2-H 3.7 and ⁴J_7-H 11.6 Hz; 4-position, δ_H 6.17, ³J_4,5 11.0 Hz, δ_C 123.33, ¹J_CH159.6 and ³J_6-H 8.3 Hz; 5-position, δ_H 6.84, ³J_4,5 11.0, and ³J_5,6 9.1 Hz, δ_C 142.01, ¹J_CH 151.7, and ³J_7-H 8.2 Hz; 6-position, δ_H 5.17, ³J_5,6 9.1 and ³J_6,7 7.2 Hz, δ_C 99.41, ¹J_CH 161.7, ²J_7-H 4.4 and ³J_4-H 10.5 Hz; 7-position, δ_H 6.72, ³J_6,7 7.2 Hz, δ_C 147.19, ¹J_CH 169.8, ³J_2-Hca. 5 ³J_5-Hca. 9 and ²J_6-Hca. 4 Hz (with unresolved coupling to the N-methyl group).