非对称十六氢-狄尔斯-阿尔德（HDDA）反应的机理和区域选择性。
Mechanism and Regioselectivity of an Unsymmetrical Hexadehydro-Diels-Alder (HDDA) Reaction.
机构信息
Department of Chemistry and Biochemistry , University of California , Los Angeles , California 90095-1569 , United States.
出版信息
J Org Chem. 2019 Feb 15;84(4):1959-1963. doi: 10.1021/acs.joc.8b02865. Epub 2019 Feb 4.
PMID:30672703
Abstract
Hoye reported intramolecular hexadehydro-Diels-Alder (HDDA) reactions to generate arynes that functionalize natural product phenols and amines. In their studies, Hoye found that unsymmetrical tetraynes selectively form a single aryne. We report density functional theory (DFT) calculations that reveal the factors controlling the regioselectivity.
摘要
Hoye 报道了分子内十六氢-Diels-Alder (HDDA) 反应生成芳炔，芳炔可对天然产物苯酚和胺进行功能化。在他们的研究中，Hoye 发现不对称四炔选择性地形成单一芳炔。我们报告了密度泛函理论 (DFT) 计算，揭示了控制区域选择性的因素。
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