Reactivity Comparison of D–Glucose–Derived Dienophiles. Analysis of the Conformational and Electronic Properties

Semiempirical calculations were performed to carry out a conformational analysis for carbohydrate-derived dienophiles 1-4. For α,β-unsaturated carbonylic compounds 2-4, a good correlation between Diels-Alder reactivity with calculated values for LUMO energies was observed.

Bibliographic Details
Main Authors: S. C. Pellegrinet, M. T. Baumgartner, R. A. Spanevello
Format: Article
Language:English
Published: MDPI AG 2000-03-01
Series:Molecules
Subjects:
n/a
Online Access:http://www.mdpi.com/1420-3049/5/3/451/
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author S. C. Pellegrinet
M. T. Baumgartner
R. A. Spanevello
author_facet S. C. Pellegrinet
M. T. Baumgartner
R. A. Spanevello
author_sort S. C. Pellegrinet
collection DOAJ
description Semiempirical calculations were performed to carry out a conformational analysis for carbohydrate-derived dienophiles 1-4. For α,β-unsaturated carbonylic compounds 2-4, a good correlation between Diels-Alder reactivity with calculated values for LUMO energies was observed.
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spelling doaj.art-6bfd5d8b3d7f40dabfcfaff100021d042022-12-22T02:05:18ZengMDPI AGMolecules1420-30492000-03-015345145210.3390/50300451Reactivity Comparison of D–Glucose–Derived Dienophiles. Analysis of the Conformational and Electronic PropertiesS. C. PellegrinetM. T. BaumgartnerR. A. SpanevelloSemiempirical calculations were performed to carry out a conformational analysis for carbohydrate-derived dienophiles 1-4. For α,β-unsaturated carbonylic compounds 2-4, a good correlation between Diels-Alder reactivity with calculated values for LUMO energies was observed.http://www.mdpi.com/1420-3049/5/3/451/n/a
spellingShingle S. C. Pellegrinet
M. T. Baumgartner
R. A. Spanevello
Reactivity Comparison of D–Glucose–Derived Dienophiles. Analysis of the Conformational and Electronic Properties
Molecules
n/a
title Reactivity Comparison of D–Glucose–Derived Dienophiles. Analysis of the Conformational and Electronic Properties
title_full Reactivity Comparison of D–Glucose–Derived Dienophiles. Analysis of the Conformational and Electronic Properties
title_fullStr Reactivity Comparison of D–Glucose–Derived Dienophiles. Analysis of the Conformational and Electronic Properties
title_full_unstemmed Reactivity Comparison of D–Glucose–Derived Dienophiles. Analysis of the Conformational and Electronic Properties
title_short Reactivity Comparison of D–Glucose–Derived Dienophiles. Analysis of the Conformational and Electronic Properties
title_sort reactivity comparison of da¢a€a glucosea¢a€a derived dienophiles analysis of the conformational and electronic properties
topic n/a
url http://www.mdpi.com/1420-3049/5/3/451/
work_keys_str_mv AT scpellegrinet reactivitycomparisonofdaaaglucoseaaaderiveddienophilesanalysisoftheconformationalandelectronicproperties
AT mtbaumgartner reactivitycomparisonofdaaaglucoseaaaderiveddienophilesanalysisoftheconformationalandelectronicproperties
AT raspanevello reactivitycomparisonofdaaaglucoseaaaderiveddienophilesanalysisoftheconformationalandelectronicproperties