de.mpg.escidoc.pubman.appbase.FacesBean
Deutsch
 
Hilfe Wegweiser Datenschutzhinweis Impressum Kontakt
  DetailsucheBrowse

Datensatz

DATENSATZ AKTIONENEXPORT

Freigegeben

Zeitschriftenartikel

The cram rule revisited once more - Revision of the Felkin-Anh model

MPG-Autoren
http://pubman.mpdl.mpg.de/cone/persons/resource/persons58468

Bühl,  M.
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

Externe Ressourcen
Es sind keine Externen Ressourcen verfügbar
Volltexte (frei zugänglich)
Es sind keine frei zugänglichen Volltexte verfügbar
Ergänzendes Material (frei zugänglich)
Es sind keine frei zugänglichen Ergänzenden Materialien verfügbar
Zitation

Smith, R. J., Trzoss, M., Bühl, M., & Bienz, S. (2002). The cram rule revisited once more - Revision of the Felkin-Anh model. European Journal of Organic Chemistry, (16), 2770-2775. doi:10.1002/1099-0690(200208)2002:16<2770:AID-EJOC2770>3.0.CO;2-X.


Zitierlink: http://hdl.handle.net/11858/00-001M-0000-000F-99B6-3
Zusammenfassung
The reaction mechanism of the LiH addition to alpha-chiral ketones and acylsilanes was calculated at the ab initio MP2/6- 311+G (circlecircle)//RHF/6-31G(circle) level. The selectivities predicted on the basis of the computed transition states and reaction barriers compare well with the experimental data, For compounds possessing very large groups, anti-Cram selectivity was found; silicon-containing compounds should show the same types of selectivity as their carbon analogs. The calculations suggest that a revision of the Felkin-Anh model is necessary and a proposal for such a revision is given, (C) Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002.