It is shown that the complexation of Eu(fod)3 with the MTPA ester of trans‐4‐tert‐butylcyclohexanol is very similar to that of ketones with Eu(fod)3. It is found to be more likely that the MTPA moiety can exist as two rotamers, suggesting that earlier models for correlating LIS and absolute configuration are inadequate.
It is shown that the complexation of the (R)-MTPA (a-methoxy-a-tduoromethyl-a-phenylacetic acid) ester of cis-4-tert-butylcyclohexanol with Eu(fod), is very similar to that of the corresponding trans-ester and ketones with Eu(fod),. Further evidence is provided that the MTPA moiety exists as two difierent rotamers. The LIS technique, used as a tool for structure and conformation elucidation, was found by means of a Monte Car10 error analysis not to be dependent on small experimental errors.
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