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On the Absolute Configuration of Chiral 1,4-Dihydropyridazines Synthesized by Organocatalysed Reactions

N. Lin
•
FORZATO, Cristina
•
BERTI, FEDERICO
altro
CORIANI, Sonia
2013
  • journal article

Periodico
JOURNAL OF ORGANIC CHEMISTRY
Abstract
A computational investigation of the specific optical rotation and of the electronic circular dichroism spectra of two chiral 1,4-dihydropyridazines was performed and compared with existing experimental data to verify a previous assignment of their absolute configuration based on a well-accepted mechanism of catalysis of the organocatalyst used in their synthesis. Both the optical rotation and circular dichroism calculations indicate that the absolute configuration is opposite to the one assigned on the basis of the mechanism originally assumed. An alternative reaction mechanism is therefore suggested
DOI
10.1021/jo401343y
WOS
WOS:000328231600005
Archivio
http://hdl.handle.net/11368/2755776
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84890142932
Diritti
metadata only access
Soggetti
  • Absolute configuratio...

  • DFT

  • Reaction mechanism

Web of Science© citazioni
6
Data di acquisizione
Mar 23, 2024
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