Ester of cis-(1R,3S)-3-tert-butylcyclohexanol and (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropionic acid, C20H27F3O3

From a study of the 13C-shift values of the MTPA esters of 3-substituted cyclohexanols of known absolute configuration an empirical rule has been developed to determine the absolute configuration of chiral cyclohexanols. The method is based on the Dale-Mosher model, which was originally developed for 'H-NMR spectra. The scope and limitations of this method are discussed. The enantiomeric purity of the alcohols can be determined simultaneously by integration of the signals in well-resolved diastereotopic carbon pairs.

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Determination of the absolute configuration and enantiomeric purity of alcohols from the ¹³C‐NMR spectra of the corresponding MTPA esters

Lemière

Willaert

Dommisse

et al. 1990

Chirality

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Ester of cis-(1R,3S)-3-tert-butylcyclohexanol and (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropionic acid, C20H27F3O3

Cited by 1 publication

References 5 publications

Determination of the absolute configuration and enantiomeric purity of alcohols from the ¹³C‐NMR spectra of the corresponding MTPA esters

Determination of the absolute configuration and enantiomeric purity of alcohols from the ¹³C‐NMR spectra of the corresponding MTPA esters

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Ester of cis-(1R,3S)-3-tert-butylcyclohexanol and (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropionic acid, C20H27F3O3

Cited by 1 publication

References 5 publications

Determination of the absolute configuration and enantiomeric purity of alcohols from the 13C‐NMR spectra of the corresponding MTPA esters

Determination of the absolute configuration and enantiomeric purity of alcohols from the 13C‐NMR spectra of the corresponding MTPA esters

Contact Info

Product

Resources

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Determination of the absolute configuration and enantiomeric purity of alcohols from the ¹³C‐NMR spectra of the corresponding MTPA esters

Determination of the absolute configuration and enantiomeric purity of alcohols from the ¹³C‐NMR spectra of the corresponding MTPA esters