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Optically active 1,3,2-benzodithiazole S-oxides: A study of rates of racemization and absolute stereochemistry
Department of Organic Chemistry, Göteborg University, Göteborg, Sweden.
Department of Organic Chemistry, Göteborg University, Göteborg, Sweden.ORCID iD: 0000-0002-8101-5137
1996 (English)In: Enantiomer (Basel. Print), ISSN 1024-2430, E-ISSN 1607-8446, Vol. 1, no 1, p. 13-22Article in journal (Refereed) Published
Abstract [en]

The optical isomers of the 1-oxide, 1,3-dioxide and 1,1,3-trioxide, respectively, of 2-benzyl-1,3,2-benzodithiazole have been isolated by chiral liquid chromatography. The rate of racemization was found to be much higher for the monooxide as compared to the dioxide or trioxide. A first-order rate constant of 8.65 × 10-5 s-1 was calculated for the racemization of the 1-oxide in acetonitrile at 21°C. This corresponds to rate constants for the forward and reverse reactions in the enantiomerization process of 4.32 × 10-5 s-1 and a Gibbs' free activation energy of only 96.5 kJ mol-1 separating the enantiomers. The absolute configuration at the tricoordinated sulfur atom in the series of oxides was determined via an X-ray crystallographic structure determination of one of the diastereomeric 2-((S)-α-phenyl-ethyl)-1,3,2-benzodithiazole 1,3-dioxides.

Place, publisher, year, edition, pages
Taylor & Francis, 1996. Vol. 1, no 1, p. 13-22
Keywords [en]
1 3 2-benzodithiazole S-oxides, Absolute configuration, Chiral liquid chromatography, Enantiomerization barriers, Optical resolution
National Category
Organic Chemistry
Identifiers
URN: urn:nbn:se:oru:diva-82392ISI: A1996WT78300003Scopus ID: 2-s2.0-0006782637OAI: oai:DiVA.org:oru-82392DiVA, id: diva2:1434854
Available from: 2020-06-04 Created: 2020-06-04 Last updated: 2025-03-10Bibliographically approved

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Oxelbark, Joakim

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