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本文研究了十二个缩胺基脲和缩硫代胺基脲化合物的~1H,~(13)C核磁共振谱。指出芳环~(13)C及~1H的δ_c和δ_H分别服从δ_c(i)=δ_c(0)+∑sji及δ_H=7.41-∑s公式,而且δ_c与Hammett常数σ_p,π-电子云密度ρ_x以及δ_H-一5ρ_p均有良好的线性关系。 缩硫代胺基脲化合物具有一定的抗结核生物活性,而缩胺基脲化合物完全无此性质。同时,缩硫代胺基脲化合物的抗结核活性及其伴生的毒性又与母体羰基化合物的结构有关,因此引起人们一定的关注,并用X光衍射,电子吸收光谱,振动光谱等方法对此两类化合物的结构与性能间的关系进行了研究。但迄今为止,此两类化合物的~(13)C NMR工作尚未见诸报道,~1H NMR的研究也比较少。为此,我们对这两类化合物~(13)C NMR和~1H NMR进行了较系统的研究。这不仅为测定此两类未知化合物结构提供判据,而且对深入了解波谱参数和结构,以及结构与性能之间的联系亦是有益的。
In this paper, the ~ 1H, ~ (13) C nuclear magnetic resonance spectra of twelve aminocarbamates and thio-substituted thiourea compounds have been studied. It is pointed out that δ_c and δ_H of aromatic ring ~ (13) C and ~ 1H obey the formulas of δ_c (i) = δ_c (0) + Σsji and δ_H = 7.41-Σs, respectively. Moreover, δ_c and Hammett constant σ_p, π- ρ_x and δ_H- a 5ρ_p have a good linear relationship. The thio-substituted thiourea compounds have some antituberculous biological activity, while the thiosemicarbazone compounds have no such properties at all. At the same time, the anti-TB activity and its associated toxicity of the thio-substituted thiourea compound are related to the structure of the parent carbonyl compound. Therefore, the anti-TB activity and the associated toxicity of the thiourea-substituted urea compound have attracted people’s attention. X-ray diffraction, electron absorption spectroscopy and vibrational spectroscopy The relationship between structure and properties of compounds has been studied. However, up to now, ~ (13) C NMR of these two compounds has not been reported yet, and the 1H NMR studies are relatively rare. For this reason, we have conducted a systematic study on ~ (13) C NMR and ~ 1H NMR spectra of these two compounds. This not only provides criteria for the determination of the structure of these two classes of unknown compounds, but also provides insight into the relationship between spectral parameters and structure, as well as structure and performance.