Refernces
10.1021/acs.jafc.9b00837
This study focuses on the development of chitinase inhibitors as a potential strategy for pest control, specifically targeting the chitinase enzyme (Of ChtI) from the Asian corn borer (Ostrinia furnacalis), which is crucial for the insect's molting process. The researchers utilized a pocket-based lead optimization strategy to synthesize and evaluate a series of compounds based on a 4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate scaffold. The lead compound 1 was optimized by introducing various nonpolar groups at the 6-position, resulting in compound 8, which exhibited the most promising inhibitory activity with a K value of 0.71 μM. The study combines computational modeling, molecular docking, and experimental bioassays to investigate the structure-activity relationships of these compounds, providing valuable insights for the design of more effective chitinase inhibitors as green pesticides.
10.1021/jo802590b
The research focuses on the Suzuki-Miyaura cross-coupling reactions of potassium heteroaryltrifluoroborates, exploring their scope and efficiency in coupling with aryl and heteroaryl halides. The study details the preparation of a variety of bench-stable potassium heteroaryltrifluoroborates from commercially available heteroarylboronic acids and develops general reaction conditions for their cross-coupling, yielding products in good to excellent yields. The experiments involved the use of palladium catalysts, sterically bulky, electron-rich phosphine ligands, and sodium carbonate in ethanol as the base, with the reaction conditions optimized through extensive screening. The analyses used to monitor the reactions and characterize the products included 11B NMR spectroscopy, and the purity and yield of the cross-coupled products were assessed using techniques like silica gel column chromatography and HRMS (High-Resolution Mass Spectrometry).
10.1016/j.tet.2012.05.112
The research focuses on the efficient and straightforward synthesis of functionalized furo[3,2-c]coumarins through a one-pot oxidative pseudo three-component condensation reaction. The reactants involved in this green chemistry approach include aldehydes, 4-hydroxycoumarin, and a mixture of I2 and K2S2O8 in the presence of Na2CO3, which serves as an oxidative reagent. The synthesis takes place in poly(ethylene glycol) (PEG), a non-toxic, recoverable solvent. The synthesized furo[3,2-c]coumarins were characterized using various analytical techniques, including X-ray single crystal structure analysis, IR and 1H-13C NMR spectroscopy, mass spectrometry, and elemental analysis, which confirmed the structure and purity of the compounds. The study also optimized reaction conditions to achieve good yields and explored the reusability of the oxidant and solvent, demonstrating their effectiveness over multiple cycles.
10.1039/b104419m
The research focuses on the synthesis and characterization of the first organo-tungsten pyrylium salt, (4-cyclopentadienyl-2,6-diphenylpyrylium)W(CO)3CH3, and its transformation into the corresponding pseudobase under aqueous basic conditions. The study aimed to develop a compound that could be used for the labeling of biological molecules and potentially aid in protein structure determination by X-ray crystallography. The tungsten pyrylium complex was synthesized by reacting a deprotonated starting material with a preformed pyrylium salt, followed by hydride abstraction with trityl cation. The complex was characterized using elemental analysis, infrared (IR) spectroscopy, and nuclear magnetic resonance (NMR) spectroscopy, which included both proton (1H) and carbon-13 (13C{1H}) analyses. The pseudobase was obtained by treating the tungsten pyrylium salt with Na2CO3 in an acetone-water mixture, followed by extraction with diethyl ether. Its structure was confirmed by 1H NMR analysis and X-ray crystallography, which revealed a four-legged piano stool geometry and significant deviation from planarity in the conjugated chain. The reactivity of the complex with n-butylamine was also studied, showing a pseudo-first order reaction rate. This research could pave the way for new approaches in protein X-ray structural determination.
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