Diastereoselective syntheses via Prins cyclization, crystal structures determination and theoretical studies of cis-2,6-diphenyl-4-hydroxytetrahydropyran and analogues

► Diastereoselective syntheses of tetrahydropyran derivatives via Prins cyclization. ► Determination of crystal structures and its crystals packing features. ► Theoretical study using density functional theory (M06-2X/6-311++G**). We report in this article the diastereoselective syntheses of tetrahy...

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Bibliographic Details
Published inJournal of molecular structure Vol. 1036; pp. 478 - 487
Main Authors Silva, F.P.L., Sabino, J.R., Martins, F.T., Vasconcellos, M.L.A.A.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 27.03.2013
Subjects
crystal structure
Crystal structures determination
crystals
DFT
Diastereoselective synthesis
gases
Prins cyclization reaction
spectroscopy
Tetrahydropyranyl derivatives
Tetrahydropyranyl derivatives
Diastereoselective synthesis
Crystal structures determination
DFT
Prins cyclization reaction
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Summary:► Diastereoselective syntheses of tetrahydropyran derivatives via Prins cyclization. ► Determination of crystal structures and its crystals packing features. ► Theoretical study using density functional theory (M06-2X/6-311++G**). We report in this article the diastereoselective syntheses of tetrahydropyranyl derivatives 1–5, its cis configurational ascertainment by spectroscopy and finally the crystal structures determination that unequivocally shows the 1–5 configurations and its crystals packing features. Besides that, we have developed a theoretical study using density functional theory (M06-2X/6-311++G**) to obtain the 1–5 optimized molecular geometries in gas phase.
Bibliography:http://dx.doi.org/10.1016/j.molstruc.2012.11.044
ISSN:0022-2860
1872-8014
DOI:10.1016/j.molstruc.2012.11.044