研究目的
Design, synthesis, and biological evaluation of densely functionalized cyclobutane derivatives via catalyst/sensitizer free ambient sunlight assisted regioselective photodimerization of acrylonitrile based push-pull Z-olefins.
研究成果
The study successfully demonstrated the synthesis of densely functionalized cyclobutane derivatives via catalyst/sensitizer free ambient sunlight assisted [2+2] cycloaddition. The mechanism of the transformation was elucidated based on kinetic, fluorescence, and crystallographic studies. The biological evaluation of the products against MCF7 breast cancer cells revealed moderate cytotoxicity, with some compounds showing potent inhibitory activity.
研究不足
The dimer products were in equilibrium with their respective monomers substrate, making the isolation of the pure products tedious. The reactions under certain conditions failed to generate the desired products due to the absence of the formation of key intermediates or steric congestion.
1：Experimental Design and Method Selection:
The study involved the design and synthesis of cyclobutane derivatives via [2+2] cycloaddition using sunlight as the energy source. The theoretical models or algorithms employed included time-dependent density functional theory (TD-DFT) for predicting UV-vis absorption spectra.
2：Sample Selection and Data Sources:
A series of Z-olefins based on acrylonitriles were synthesized and characterized by NMR and HRMS. The reactions were monitored by HPLC.
3：List of Experimental Equipment and Materials:
Chemicals were purchased from Sigma-Aldrich. NMR spectra were recorded using Bruker Advance 400 NMR Spectrometer. HPLC experiments were carried out on a Waters Alliance System. HRMS analyses were performed using an Agilent 6540 accurate–mass Q-TOF LC/MS.
4：Experimental Procedures and Operational Workflow:
The reactions were performed under ambient sunlight, LED light, and UVA radiation. The reactions were monitored using TLC and HPLC. The products were purified by column chromatography.
5：Data Analysis Methods:
The data were analyzed using statistical techniques and software tools such as Gaussian 09 for theoretical calculations and GaussView 5 for plotting UV-vis absorption spectra.
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