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An Analysis of the 13C N.M.R. Spectra of Pyridazin-3-ones and Some Specifically Deuteriated Derivatives
McNab, Hamish
, p. 1203 - 1208 (2007/10/02)
Optimum conditions are reported for the formation of - and -pyridazin-3(2H)-ones by gas-phase decarboxylation of the corresponding carboxylic acids or cyclisation of the appropriate (N-2H>- or -5-(1,2-diazabutadien-4-ylidene)-2,2-dimethyl-1,3-dioxan-4,6-dione.By the use of deuterated derivatives, the 13C n.m.r. parameters of pyridazin-3(2H)-one are assigned as follows: C(3), δ 164.00 (3JCH 8.6 Hz); C(4), δ 130.45 (1JCH 171.9, 3JCH 6.1 Hz); C(5), δ 134.71 (1JCH 168.3, 2JCH(6) 8.0 Hz); C(6), δ 139.02 (1JCH 188.9, 2JCH 2.7, 3HCH(4) 7.9 Hz).Chemical shifts and coupling constants of a range of C-methyl-, N-t-butyl-, and N-aryl-pyridazin-3(2H)-ones are reported, and the substituent effect are correlated with model systems.
