Exploring the relationship between the conformation and pKa: can a pKa value be used to determine the conformational equilibrium?
نویسندگان
چکیده
Four substituted cis and trans-4,5-dihydroxyhexahydropyridazines that were expected to undergo pH induced conformational switching were synthesized and carefully investigated by NMR analyses and calculations. For two of the compounds a large difference in pKa existed between the two possible chair conformers and for one compound this resulted in conformational switching as a result of pH change. For the first time it is shown that the pKa directly reflects the conformational equilibrium of conformers.
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ورودعنوان ژورنال:
- Organic & biomolecular chemistry
دوره 13 10 شماره
صفحات -
تاریخ انتشار 2015