Beilstein J. Org. Chem.2006,2, No. 19, doi:10.1186/1860-5397-2-19
erythro- and threo- 2,3-difluorosuccinic acids were then prepared. The solid and solution state conformation of these compounds was assessed by X-ray crystallography and NMR. Abinitiocalculations were also carried out to model the conformation of erythro- and threo- 1,2-difluoro-1,2-diphenylethane as
).
Conformational energy calculations on erythro and threo-13
Due to the ambiguous solution state study particularly for erythro-13, abinitiocalculations were carried out at the B3LYP//cc-pVTZ level exploring absolute energies of the three staggered conformers of both erythro- and threo- 13 [24][25]. The
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Graphical Abstract
Scheme 1:
Synthesis of vicinal dimethyl difluorosuccinates. The conversion of the tartrates 1 with SF4 and HF ...