Title of article
Uncatalyzed and Amine Catalyzed Decarboxylation of Acetoacetic Acid: An Examination in Terms of No Barrier Theory
Author/Authors
Guthrie، نويسنده , , J.Peter، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2002
Pages
21
From page
32
To page
52
Abstract
Rate constants for decarboxylation of acetoacetic acid, its anion, and its imine with aminoacetonitrile have been calculated from equilibrium constants and distortion energies using No Barrier Theory. The mechanisms of decarboxylation of both acetoacetic acid and its imine involve preequilibrium formation of the zwitterion.
Keywords
Decarboxylation , Imine , amine catalysis , No Barrier Theory , calculation of rate constants.
Journal title
Bioorganic Chemistry: an International Journal
Serial Year
2002
Journal title
Bioorganic Chemistry: an International Journal
Record number
1385469
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