1878-94-0Relevant articles and documents
Method for synthesizing 4-iodophenoxyacetic acid
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Paragraph 0017-0022, (2019/03/09)
The invention discloses a method for synthesizing 4-iodophenoxyacetic acid. The method comprises the following steps: 1) dissolving phenyloxyacetic acid and sodium iodide in an aqueous methanol solution, carrying out stirring and maintaining a temperature at 25-30 DEG C; 2) adding an aqueous sodium hypochlorite solution at 25-30 DEG C under stirring; 3) carrying out heating to 30-36 DEG C after completion of addition and performing a stirring reaction for 1-2 h; 4) distilling off methanol, then carrying out cooling to room temperature, adjusting a pH value to 2-3 and allowing 4-iodophenoxyacetic acid to be precipitated; and 5) carrying out cooling to 10 DEG C, performing standing for 0.5-1 h, and then carrying out filtering, washing with cold water and drying to obtain finished 4-iodophenoxyacetic acid. According to the method of the invention, in the aqueous methanol solution, phenoxyacetic acid and sodium iodide are as substrates and sodium hypochlorite is dropwise added to prepare 4-iodophenoxyacetic acid; reaction conditions are moderate; yield is as high as 94.6%; and raw materials are cheap and easily available and has low toxicity.
Synthesis, evaluation and in silico molecular modeling of pyrroyl-1,3,4-thiadiazole inhibitors of InhA
Joshi, Shrinivas D.,More, Uttam A.,Koli, Deepshikha,Kulkarni, Manoj S.,Nadagouda, Mallikarjuna N.,Aminabhavi, Tejraj M.
, p. 151 - 167 (2015/03/30)
Enoyl acyl carrier protein reductase (ENR) is an essential type II fatty acid synthase (FAS-II) pathway enzyme that is an attractive target for designing novel antitubercular agents. Herein, we report sixty-eight novel pyrrolyl substituted aryloxy-1,3,4-thiadiazoles synthesized by three-step optimization processes. Three-dimensional quantitative structure-activity relationships (3D-QSAR) were established for pyrrolyl substituted aryloxy-1,3,4-thiadiazole series of InhA inhibitors using the comparative molecular field analysis (CoMFA). Docking analysis of the crystal structure of ENR performed by using Surflex-Dock in Sybyl-X 2.0 software indicates the occupation of pyrrolyl substituted aryloxy 1,3,4-thiadiazole into hydrophobic pocket of InhA enzyme. Based on docking and database alignment rules, two computational models were established to compare their statistical results. The analysis of 3D contour plots allowed us to investigate the effect of different substituent groups at different positions of the common scaffold. In vitro testing of ligands using biological assays substantiated the efficacy of ligands that were screened through in silico methods.
Synthesis, characterization and properties of 1,2,4-triazolo[3,4-b][1,3,4] thiadiazole derivatives and their europium complexes
Yan, Dong,Xiang, Yu,Li, Kangyun,Chen, Yanwen,Yang, Zehui,Guo, Dongcai
, p. 487 - 495 (2014/07/21)
Eight novel 1,2,4-triazolo[3,4-b][1,3,4]thiadiazole derivatives and their corresponding Eu(III) complexes were synthesized and characterized. From the spectral studies it has been concluded that the title Eu(III) complexes display six coordination. The investigation of the luminescence properties of the title complexes showed that the ligands favor energy transfers to the emitting energy level of europium ions. The title Eu(III) complexes exhibited characteristic emissions of europium ions, and possessed strong luminescence intensities, good fluorescence quantum yields, and the highest fluorescence quantum yield is up to 0.522. Furthermore, the luminescence intensity of the complex with chlorine-substituted group is the strongest than that of other complexes. The exploration of the electrochemical properties of the title complexes shows that the introduction of electron-donating groups can increase the HOMO energy levels, LUMO energy levels and the oxidation potential of the complexes, however, the result of introduction of electron-withdrawing groups was just opposite.
