Bharatam, Prasad V. ; Kumar, R. Senthil ; Mahajan, Mohinder P. (2000) Dienophilic Behavior of the Vinylic (CC) and the Carbonyl (CO) Bonds of Ketenes in Reactions with 1,3-Diazabuta-1,3-dienes Organic Letters, 2 (18). pp. 2725-2728. ISSN 1523-7060
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Official URL: http://doi.org/10.1021/ol000052t
Related URL: http://dx.doi.org/10.1021/ol000052t
Abstract
Ab initio and density functional studies (DFT) on cycloaddition reactions of 1,3-diazabuta-1,3-dienes with ketenes are reported. The vinylic (CC) and the carbonyl (CO) units of the ketenes are found to participate in concerted asynchronous [4 + 2] cycloaddition reactions. The transition states (3t, 4t, and 7t) for these paths have been located on the PE surface at the correlated levels of ab initio calculations. A reasonable mechanism for the formation of [4 + 2] and [2 + 2] adducts is presented.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 116695 |
| Deposited On: | 12 Apr 2021 11:49 |
| Last Modified: | 12 Apr 2021 11:49 |
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