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Transition structure for the retroene-type elimination reaction of propene from allylamines (1997)

Rodriguez, Leonardo ; Muñoz, Wasdin ; Martin, Gonzalo ; [et al.]

New York, NY [u.a.] : Wiley-Blackwell

Heteroatom Chemistry 8 (1997), S. 85-89

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ISSN: 1042-7163

Keywords: Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: The transition-state geometries of retroene elimination reactions of propene from allylamines have been calculated by using the semiempirical AM1 method. The most favored geometry resembles a half chair or a flattened boat. It is also found that the transition states are of polar character and that the negative charge on the N atom decreases in the transition state; thus, the reaction is favored by electron donor substituents on the nitrogen atom, as observed experimentally. © 1997 John Wiley & Sons, Inc.

Additional Material: 3 Ill.

Type of Medium: Electronic Resource

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