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Determination of hydration equilibrium constants and p K a values of 4‐piperidones in buffered water solutions
Author(s) -
Van Luppen J. J.,
Lepoivre J. A.,
Dommisse R. A.,
Alderweireldt F. C.
Publication year - 1979
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270120704
Subject(s) - aqueous solution , chemistry , ketone , nitrogen atom , thermodynamics , atom (system on chip) , computational chemistry , organic chemistry , group (periodic table) , physics , computer science , embedded system
1 H and 13 C chemical shift parameters are given for 4‐piperidones and their derivatives in buffered aqueous solution. The 13 C shift increments of methyl substituents on the nitrogen atom are discussed. The pH‐shift dependence is studied in detail and p K a values are given for ketone forms and hydration products. The hydration equilibria are measured as a function of pH and temperature.