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The use of lanthanide‐induced shifts for conformational and structural studies of ( R )‐MTPA (α‐methoxy‐α‐trifluoromethyl‐α‐phenylacetic acid) esters. 2 —Complexes of the ( R )‐MTPA esters of 4‐ tert ‐butylcyclohexanols with Eu(fod) 3
Author(s) -
Vanhoeck L.,
Bossaerts J.,
Dommisse R. A.,
Lepoivre J. A.,
Alderweireldt F. C.
Publication year - 1984
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.1270220106
Subject(s) - phenylacetic acid , chemistry , trifluoromethyl , moiety , conformational isomerism , stereochemistry , lanthanide , medicinal chemistry , organic chemistry , molecule , ion , alkyl
It is shown that the complexation of the ( R )‐MTPA (α‐methoxy‐α‐trifluoromethyl‐α‐phenylacetic acid) ester of cis ‐4‐ tert ‐butylcyclohexanol with Eu(fod) 3 is very similar to that of the corresponding trans ‐ester and ketones with Eu(fod) 3 . Further evidence is provided that the MTPA moiety exists as two different rotamers. The LIS technique, used as a tool for structure and conformation elucidation, was found by means of a Monte Carlo error analysis not to be dependent on small experimental errors.