Regioselective Electrophilic Aromatic Bromination: Theoretical Analysis and Experimental Verification

Molecules

Hui-Jing Li³  Yan-Chao Wu³  Jian-Hong Dai¹  Yan Song¹  Runjiao Cheng² 

[1] School of Materials Science and Engineering, Harbin Institute of Technology at Weihai, Weihai 264209, China;Central Laboratory, College of Chemistry, and Computational Center for Molecular Science, Nankai University, Tianjin 300071, China;School of Marine Science and Technology, Harbin Institute of Technology at Weihai, Weihai 264209, China

关键词: electrophilic aromatic bromination;    selectivity;    ab initio;    natural products;   

DOI  :  10.3390/molecules19033401

来源: mdpi

【 摘 要 】

Electrophilic aromatic bromination is the most common synthetic method used to prepare aryl bromides, which are very useful intermediates in organic synthesis. To understand the experimental results in electrophilic aromatic brominations, ab initio calculations are used here for a tentative analysis of the positional selectivity. The calculated results agree well with the corresponding experimental data, and the reliability of the resulting positional selectivity was verified by the corresponding experimental data.

【 授权许可】

CC BY   
© 2014 by the authors; licensee MDPI, Basel, Switzerland.