Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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MO Theoretical Studies on Diels-Alder Reactions of $\alpha$-Allenic Ketones$^*$

  • Published : 1983.10.20
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Abstract

The Diels-Alder cycloaddition reactions between dienes and allenic ketones were studied theoretically using CNDO/2 method. It was found that the reaction is a neutral electron demand type with matrix element control and the reactivity, the regio- and stereo-selectivities can be correctly predicted based on interaction energies calculated with the 4-center FMO formalism.

Keywords

References

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Cited by

  1. Intramolecular Diels-Alder Reaction with Furan-Diene. Activated Allene as Dienophile in a BCD-ring Approach to Steroids vol.96, pp.2, 1983, https://doi.org/10.1002/bscb.19870960205