Theoretical Studies on N-O or N-N Bond Formation from Aryl Azide Catalyzed by Iron(II) Bromide Complex

被引:11
|
作者
Li, Juan [1 ]
Zhang, Qi [1 ]
Zhou, Lixin [1 ]
机构
[1] Jinan Univ, Dept Chem, Guangzhou 510632, Guangdong, Peoples R China
来源
JOURNAL OF ORGANIC CHEMISTRY | 2012年 / 77卷 / 05期
关键词
NEIGHBORING GROUP; PYROLYSIS; DERIVATIVES; RATES; INHIBITORS; 2-AZIDOBENZOPHENONES; HETEROCYCLES; THERMOLYSIS; MECHANISM; CARBONYL;
D O I
10.1021/jo202646t
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
DFT calculations have been carried out to study the reaction mechanism on N-O or N-N bond formation from aryl azide catalyzed by iron(II) bromide complex. A favorable reaction pathway is proposed to account for the construction of the core structure of 2H-indazoles or 2,1-benzisoxazoles.
引用
收藏
页码:2566 / 2570
页数:5
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