期刊
MATERIALS
卷 15, 期 21, 页码 -出版社
MDPI
DOI: 10.3390/ma15217584
关键词
[3+2] cycloaddition; 3; 3; 3-tribromo-1-nitroprop-1-ene; nitrones; molecular mechanism; molecular electron density theory
In this study, the first examples of [3+2] cycloaddition reactions between 3,3,3-tribromo-1-nitroprop-1-ene and diarylnitrones were explored, leading to the formation of 3,4-cis-4,5-trans-4-nitroisoxazolidines with full regio- and stereoselectivity. The regioselectivity and molecular mechanism of these processes were analyzed using advanced DFT computational study.
The first examples of [3+2] cycloaddition reactions between 3,3,3-tribromo-1-nitroprop-1-ene (TBMN) were explored on the basis of experimental and theoretical approaches. It was found that reactions involving TBMN and diarylnitrones realized with full regio- and stereoselectivity lead to respective 3,4-cis-4,5-trans-4-nitroisoxazolidines. The regioselecticity and the molecular mechanism of title processes was analyzed on the basis of the advanced DFT computational study.
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