Experimental and Theoretical Investigations of the Bromination of Phenols with β and γ Aliphatic Substituents, including Rings
作者:Jinsong Zhang、Xiao Chang、Erich C. Bowman、Carter J. Holt、Michael W. Lodewyk、Randy M. Miller、Guangming Xia
DOI:10.1021/acs.joc.5b01866
日期:2015.9.18
Bromination reactions of substituted and ring fused phenols were studied by both experiment (t-BuNH-Br) and computation (density functional theory). The outcomes support each other, indicating a clear and predictable regioselective preference among 3,4-bis-alkylated and 3,4-ring-fused phenols.
通过实验(t -BuNH-Br)和计算(密度泛函理论)研究了取代的和环稠合的酚的溴化反应。结果相互支持,表明在3,4-双烷基化酚和3,4-环稠合酚之间有明确且可预测的区域选择性偏好。