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? 2.1 AM1 calculations and mathematical simulation of the equilibria

Journal of Organic Chemistry

Volumn 61, Issue 2, 1996, Pages 751-757

  Hunt, Ian R ^a   Rauk, Arvi ^a   Keay, Brian A ^a  

^a UNIVERSITY OF CALGARY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0010318506     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo951220b     Document Type: Article

References (46)

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43. R∼0); however, there is no literature precedent for this. Indeed, in an investigation of the gem dialkyl effect for the formation of alkylcyciohexanes, it has been stated that the entropy and enthalpy effects are of comparable importance and neither can be neglected (ref 18).
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45. Mathematica is a trademark of Wolfram Research Inc., Champaign, IL.
46. obs was carried out using a simple Fortran program for the full version of eq 4 in terms of eqs 5 and 6.