Quantitative structure-activity relationship studies on relative sweetness of aniline derivatives was written by Zhu, Lilan. And the article was included in Shipin Kexue (Beijing, China) in 2011.Category: nitriles-buliding-blocks This article mentions the following:
In this article, a novel connectivity index (mLtv) was established by extending Kier’s connectivity index (mXtv). The quant. structure-activity relationship (QSSR) between the relative sweetness (RS/B) of 20 nitroaniline and cyanoaniline derivatives and mLtv was explored using multivariate statistical regression. Based on leaps-and-bounds regression anal., an optimal binary QSAR model was set up. The traditional correlation coefficient (R) and cross-validation correlation coefficient (Q2) of leave-one-out (LOO) were 0.943 and 0.844, resp. These results demonstrated that the model was highly reliable and had good prediction capability. Meanwhile, it was better than that of Kier’s connectivity index. Moreover, the model could be explained by the AH-B-W sweetness theory of Shallenberger and Kier. In the experiment, the researchers used many compounds, for example, 3-Amino-4-methoxybenzonitrile (cas: 60979-25-1Category: nitriles-buliding-blocks).
3-Amino-4-methoxybenzonitrile (cas: 60979-25-1) belongs to nitriles. The electronic structure of nitriles is very similar to that of an alkyne with the main difference being the presence of a set of lone pair electrons on the nitrogen. In addition, Nitriles can react with alkynes, which leads to an increase in carbon chain length (carbocyanation).Category: nitriles-buliding-blocks
Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts