In 2013,Guan, Ai-Ying; Liu, Chang-Ling; Huang, Guang; Li, Hui-Chao; Hao, Shu-Lin; Xu, Ying; Li, Zhi-Nian published 《Design, Synthesis, and Structure-Activity Relationship of Novel Aniline Derivatives of Chlorothalonil》.Journal of Agricultural and Food Chemistry published the findings.Computed Properties of C5H5BrN2 The information in the text is summarized as follows:
Chlorothalonil with both low cost and low toxicity is a popularly used fungicide in the agrochem. field. The presence of nucleophilic groups on this compound allows further chem. modifications to obtain novel chlorothalonil derivatives Fluazinam, another com. available agent with a broad fungicidal spectrum, has a scaffold of diaryl amine structure. To mimic this backbone structure, a variety of (un)-substituted Ph amines was used as nucleophilic agents to react with chlorothalonil to obtain compounds with a di-Ph amine structure. Via an elegant design, two leads, 2,4,5-trichloro-6-(2,4-dichlorophenylamino)-isophthalonitrile and 2,4,5-trichloro-6-(2,4,6-trichlorophenylamino)-isophthalonitrile, with potential fungicidal activity were discovered after a preliminary bioassay screen. These two leads were further modified to obtain final products by replacing the chlorine groups in the Ph ring in Ph amine with other functional groups. These functional groups with various electronic properties and spatial characteristics were considered to explore the relationship between structure and fungicidal activity. The results indicate that the electron-withdrawing group NO2 on the 4 position on the right Ph ring plays a unique role on enhancing the fungicidal activity. The compounds were identified by proton NMR and elemental anal. Bioassays demonstrated that some of the title compounds exhibited excellent fungicidal activities against cucumber downy mildew at 25 mg/L. 2,4,5-Trichloro-6-(2-chloro-4-nitrophenylamino)isophthalonitrile has been shown as the optimal structure with 85% control against cucumber downy mildew at 6.25 mg/L concentration The relationship between structure and fungicidal activity is reported. The present work demonstrates that chlorothalonil derivatives can be used as possible lead compounds for developing novel fungicides. In the experiment, the researchers used 6-Bromopyridin-3-amine(cas: 13534-97-9Computed Properties of C5H5BrN2)
6-Bromopyridin-3-amine(cas: 13534-97-9) belongs to anime. Hydrogen peroxide (H2O2) and peroxy acids generally add an oxygen atom to the nitrogen of amines. With primary amines, this step is normally followed by further oxidation, leading to nitroso compounds, RNO, or nitro compounds, RNO2. Secondary amines are converted to hydroxylamines, R2NOH, and tertiary amines to amine oxides, R3NO.Computed Properties of C5H5BrN2