Theoretical study of the reactivity of (CH3)2AlCH2I promoted cyclopropanation reactions |
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| Authors: | Zhao-Hui Li Li-Zhen He Guo-Ying Teng |
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| Affiliation: | Department of Chemistry and Biochemistry, Shangrao Branch of Jiangxi Medical College, Shangrao 334600, China |
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| Abstract: | Density functional theory calculations are reported for the cyclopropanation reactions of (CH3)2AlCH2I with ethylene for two reaction channels: methylene transfer and carbometalation. These computational results suggest that the methylene transfer process is favored and the competition from the carbometalation pathway is negligible. |
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| Keywords: | Density functional theory Aluminum carbenoid Methylene transfer Carbometalation |
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