Title of article :
Absolute configuration of Trِger bases: an X-ray diffraction and circular dichroism study
Author/Authors :
Denis A. Lenev، نويسنده , , Denis A. and Lyssenko، نويسنده , , Konstantin A. and Golovanov، نويسنده , , Denis G. and Malyshev، نويسنده , , Oleg R. and Levkin، نويسنده , , Pavel A. and Kostyanovsky، نويسنده , , Remir G. Kostyanovsky، نويسنده ,
Issue Information :
دوماهنامه با شماره پیاپی سال 2006
Abstract :
Bis-ortho-methyl-bis-meta-bromo Tröger base (TB) 2 and bis-ortho-methyl TB 3 were prepared in enantiopure form. The absolute configuration for (5S,11S)-(−)-2 was determined by X-ray diffraction. The sign of the longest wavelength band in the electronic CD spectrum is negative for both (5S,11S)-(−)-2 and (5S,11S)-(−)-3, as well as for the parent para-methyl TB (5S,11S)-(+)-1, which is in agreement with TD DFT B3LYP/6-31G(d,p) calculations.
Keywords :
X-ray diffraction analysis , TD DFT Calculations , absolute configuration , circular dichroism , Trِger bases
Journal title :
Tetrahedron Letters
Journal title :
Tetrahedron Letters
