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首页> 外文期刊>RSC Advances >Ferrocene catalysed heteroarylation of BODIPy and reaction mechanism studies by EPR and DFT methods
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Ferrocene catalysed heteroarylation of BODIPy and reaction mechanism studies by EPR and DFT methods

机译：二甲苯催化的杂种和反应机理研究通过EPR和DFT方法研究

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The C–H heteroarylations of BODIPy using heteroaryl diazoniumtetrafluoroborate and ferrocene (Fc) as catalysts were carried out. Mono and di heteroaryl BODIPy derivatives ( 1–8 ) were obtained in a cost-effective way. This method gives easy access to 4-pyridyl substituted BODIPy ( 7 , 8 ), which is useful for synthesizing water soluble derivatives for biological applications. The pathway for this reaction was studied by carrying out spin cross-over experiments using electron paramagnetic resonance (EPR) techniques. A strong EPR signal was obtained in the presence of ferrocene and heteroaryldiazonium salt, which indicates the formation of radicals during the initial steps of the reaction. In addition, we have also performed computational investigations on different steps of the reaction to elucidate the role of ferrocene as a radical initiator in this reaction.
机译：进行使用杂芳基二氮杂氟硼酸盐和二茂铁（Fc）作为催化剂的C-H杂芳基。单一和二杂芳基BODIPY衍生物（1-8）以成本效益的方式获得。该方法可以易于获得4-吡啶基取代的BODIPY（7,8），这对于合成用于生物应用的水溶性衍生物是可用于合成的。通过使用电子顺磁共振（EPR）技术进行旋转交叉实验，研究了该反应的途径。在二茂铁和杂芳基氮的存在下获得强的EPR信号，这表明在反应的初始步骤期间形成自由基。此外，我们还对反应的不同步骤进行了计算调查，以阐明该反应中的二茂铁作为自由基引发剂的作用。

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