Understanding Polyarene Trifluoromethylation with Hot CF 3 Radicals Using Corannulene: Understanding Polyarene Trifluoromethylation with Hot CF 3 Radicals Using Corannulene
Understanding Polyarene Trifluoromethylation with Hot CF 3 Radicals Using Corannulene: Understanding Polyarene Trifluoromethylation with Hot CF 3 Radicals Using Corannulene
复制标题
了解使用 Corannulene 的热 CF 3 自由基的聚芳烃三氟甲基化：了解使用 Corannulene 的热 CF 3 自由基的聚芳烃三氟甲基化
DOI：
10.1002/ejoc.201800508
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发表时间：
2018
影响因子：
2.8
通讯作者：
Boltalina, Olga V.
中科院分区：
文献类型：
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作者：
Kuvychko, Igor V.;Clikeman, Tyler;Dubceac, Cristina;Chen, Yu-Sheng;Petrukhina, Marina A.;Strauss, Steven H.;Popov, Alexey A.;Boltalina, Olga V.
通过对Corannulene（C20H10）与CF3I气体反应的详细研究，对多环芳烃（PAHs）的高温三氟甲基化反应过程有了新的认识。在这些反应中，十个新的聚（三氟甲基）corannulenes，并充分表征。详细的计算研究解释了所观察到的产物分布趋势，以及为什么即使使用过量的试剂气体也无法制备某些产物。该方法对设计新的高效、选择性合成各种热稳定缺电子多环芳烃具有很好的预测价值。
New insights into the process of high‐temperature trifluoromethylation of polycyclic aromatic hydrocarbons (PAHs) were gained in a detailed study of the reactions between corannulene (C20H10) and CF3I gas. Ten new poly(trifluoromethyl)corannulenes were made in these reactions and were fully characterized. A detailed computational study explains the observed trends in the product distribution and why some products cannot be prepared even with an excess of the reagent gas. The approach utilized here may have good predictive value for designing new effective and selective synthetic methodologies for various thermally stable electron‐deficient PAHs.