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1H, 13C and 17O NMR study of substituent effects in 4-substituted phenylthiol esters

✍ Scribed by Subbu Perumal; Gnanasambandam Vasuki; Veerappan Vijayabaskar; Sangavanaicker Selvaraj; David W. Boykin

Publisher: John Wiley and Sons
Year: 1998
Tongue: English
Weight: 200 KB
Volume: 36
Category: Article
ISSN: 0749-1581
DOI: 10.1002/(sici)1097-458x(199810)36:10<720::aid-omr357>3.0.co;2-0

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✦ Synopsis

The 1H and 13C NMR spectra of 4-substituted phenylthiol acetates, benzoates and cinnamates and the 17O NMR spectra of a few thiol acetates were measured. The 13C chemical shifts of C-1 of the thiol esters when correlated with appropriate substituent-induced chemical shifts (SCS) of monosubstituted benzenes reveal an enhancement of substituent e †ect at C-1. Several good dual substituent parameter (DSP) correlations of 13C chemical shifts with and parameters were obtained for the carbons para to the substituent and the carbonyl carbons p 1 p R of all the three series of thiol esters display inverse substituent e †ects, indicating n-polarization of the thiol ester functionality by the dipole of the substituent.

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