ChemInform Abstract: Synthesis and Antifungal Activity of Novel Furan‐2,4‐dione Derivatives Containing Substituted Phenylhydrazine Moiety.

Abstract

Among the title compounds, derivative (Vb) shows excellent bioactivity with an EC50 value markedly lower than the commercial fungicide procymidone.

QSAR studies of phenylhydrazine‐substituted tetronic acid derivatives based on the 1H NMR and 13C NMR chemical shifts

“…The title compounds, that is, phenylhydrazine-substituted tetronic acid derivatives, were synthesized and recrystallized using the reported method. [28] The structure information of these compounds were obtained from our previous study [27][28][29] and shown in Table 1. Considering that the compounds 23-26, 29, and 31 have not been published, the characterization information of these compounds were given in supporting information.…”

“…The title compounds were screened for the antifungal activity in vitro against Fusarium graminearum (FUS), BOT, RHI, and Colletotrichum capsici (COL) using the radial growth inhibition technique. [30] The antifungal activity was obtained from our previous study [27] and expressed as EC 50 values (μg/ml), which were shown in Table 2.…”

“…The chemical shifts of 1 H NMR and 13 C NMR, that is, the independent variables, were listed in Table S1. Considering that the E/Z-isomers of title compounds were discussed in our previous research, [27][28][29] which concluded that the E-isomer was predominant, the chemical shifts and the physical properties used for the models in this paper were derived from the E-isomers of all the compounds. In order to build better models, the selected physical properties summarized in Table S2 were also considered as the independent variables.…”

“…[26] In our previous research, the phenylhydrazinesubstituted tetronic acid derivatives showed remarkable antifungal activity against Botrytis cinerea (BOT), Rhizoctonia cerealis (RHI), and some other agricultural fungi. [27][28][29] The comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA) 3D-QSAR models of some compounds were generated and predicted the reasonable substituents in the design of new tetronic acid derivatives with potential antifungal activity. [28] But it was unknown whether the NMR chemical shift was related to the antifungal activity.…”