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Conformational properties and chiral separation of dibenzo[b,f]thieno[3,4-d]-fused oxepines and thiepines

The dynamic properties of planar chiral 1- hydroxymethyl-substituted dibenzo[b, f]thieno[3, 4- d]-fused oxepine and thiepine derivs. have been investigated by use of variable-temp. NMR spectroscopy combined with line-shape anal., chiral column chromatog., and mol. modeling. NMR data and computational studies revealed the height of the energy barrier for ring inversion in thiepine derivs. was sufficient to enable the existence of a pair of conformational enantiomers at ambient temp. Their resoln. was achieved by chiral column high- performance liq. chromatog. (HPLC). The abs. conformation of the enantiomers is proposed. This is the first chromatog. sepn. of planar chiral enantiomers of [b, d, f]-fused thiepine derivs

fused oxepine, fused thiepene, NMR spectroscopy, conformational isomers

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