| Comparative studies on the concerted and two-step mechanism of ketene-methylenimine cycloaddition |
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| 作者姓名： | FANG De-Cai FU Xiao-Yuan |
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| 作者单位： | FANG，De-Cai FU，Xiao-Yuan Department of Chemistry，Beijing Normal University，Beijing 100875，China |
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| 基金项目： | Project supported by the State Education Commission of China and the National Natural Science Foundation of China. |
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| 摘 要： | The concerted reaction mechansim of the ketene-methylenimine cycloaddition reaction was reconfirmed by IRC calculation at HF/6-31G level.Other possible reaction schemes were also studied.The cis and gauch intermediate cannot be found on the potential energy surface,and the trans intermediate can only lead to a 6-membered ring product.Therefore,a two step mechanism to form β-lactam is excluded for the title reaction.
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Comparative studies on the concerted and two-step mechanism of ketene-methylenimine cycloaddition |
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| FANG,De-Cai FU,Xiao-Yuan.Comparative studies on the concerted and two-step mechanism of ketene-methylenimine cycloaddition[J].Chinese Journal of Chemistry,1996,14(2):97-104. |
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| Authors: | FANG De-Cai FU Xiao-Yuan |
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| Institution: | FANG,De-Cai FU,Xiao-Yuan Department of Chemistry,Beijing Normal University,Beijing 100875,China |
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| Abstract: | The concerted reaction mechanism of the ketene-methylenimine cycloaddition reaction was reconfirmed by IRC calculation at HF/6–31G* level. Other possible reaction schemes were also studied. The cis and gauch intermediate cannot be found on the potential energy surface, and the trans intermediate can only lead to a 6-membered ring product. Therefore, a two step mechanism to form β-lactam is excluded for the title reaction. |
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| Keywords: | Ketene methylenimine cycloaddition mechanism |
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