Volume 27, Issue 23
Physical Organic Chemistry
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ChemInform Abstract: Why Do Catalytic Quantities of Lewis Acid Generally Yield More Product than 1.1 Equiv. in the Intramolecular Diels-Alder Reaction with a Furan Diene? Part 2. AM1 Calculations and Mathematical Simulation of the Equilibria.

I. R. HUNT

I. R. HUNT

Dep. Chem., Univ. Calgary, Calgary, Alberta T2N 1N4, Can.

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A. RAUK

A. RAUK

Dep. Chem., Univ. Calgary, Calgary, Alberta T2N 1N4, Can.

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B. A. KEAY

B. A. KEAY

Dep. Chem., Univ. Calgary, Calgary, Alberta T2N 1N4, Can.

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First published: June 4, 1996

Abstract

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ChemInform Abstract

Heats of formation and reaction are obtained using AM1 calculations for 26 intramolecular Diels-Alder reactions of furans of the types (I), (III), and (V). The results support the hypothesis that catalytic quantities of Me×AlCl2 give higher yields than 1.1 equiv. Lewis acid.

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