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2‐Amino‐2‐oxazolines, VI: Study of the Tautomerism by Experimental and Theoretical Methods
Author(s) -
Forfar Isabelle,
Jarry Christian,
Fayet JeanPierre,
Carpy Alain
Publication year - 1992
Publication title -
archiv der pharmazie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.468
H-Index - 61
eISSN - 1521-4184
pISSN - 0365-6233
DOI - 10.1002/ardp.19923250902
Subject(s) - tautomer , mndo , chemistry , oxazoline , ab initio , computational chemistry , dipole , amino acid , ab initio quantum chemistry methods , stereochemistry , molecule , organic chemistry , catalysis , biochemistry
The tautomeric equilibrium of 2‐amino‐2‐oxazolines with a C‐5 lateral amino chain has been studied by dipole moments measurement and theoretical calculations (MNDO and ab initio ). The results show the predominance of the amino tautomers in solution. The X‐ray crystal structure of 5‐morpholinomethyl‐2‐amino‐2‐oxazoline confirms this tendency in the solid state.