• Bulletin of the Korean Chemical Society
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• v.21 no.1
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• pp.49-55
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• 2000

A series of m-, and p-substituted phenyl 2-thiophenecarboxylates and benzoates was prepared by the reaction of the corresponding acyl chlorides and phenols. Their $^1H$ and $^{13}C$ NMR chemical shifts were analyzed using single substituent parameter (S SP) and dual substituent parameter (DSP) methods. The relative aromaticity index of thiophene was estimated to be 0.92 from the plot of the chemical shift of the carbonyl carbons of the thienoyl esters against chemical shift of the carbonyl carbons of the benzoyl esters.

• The Korean Journal of Pesticide Science
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• v.6 no.4
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• pp.231-243
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• 2002

Starting with linear free energy relationships (LFER), drug design to mimic of the activated complexes at transition state, and hydrolysis mechanisms to control the potency and residual properties of pesticides were introduced and summarized for the necessity. In order to understand the searching or development of new agrochemicals by two dimensional quantitative structure-activity relationship (2D QSAR) methodology, a series of the various descriptors, steric constants, electronic constants including quantum pharmacological parameters and hydrophobic constants were classified and discussed for results of the several studied cases. In addition, the processes of development of new agrochemicals by QSAR techniques were introduced simply.

• Journal of the Korean Chemical Society
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• v.29 no.3
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• pp.277-282
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• 1985

The effects of linear free energy relationship (LFER) on the imidoyl proton (H${\alpha}$)-substituent chemical shift (SCS) in case of varying para-substituted C-phenyl group in N-benzylideneaniline derivatives were studied. The H${\alpha}$-SCS values and LFER parameters such as ${\sigma}$,${\sigma}^+$, ${\sigma}_I$,${\sigma}_R, F and R were applied to the Hammett, Okamoto-Brown, and Taft, Swain-Lupton's dual substituents parameter (DSP) equations. The results were: (1) the blending coefficient values, ${\lambda}$ = 2.8∼3.2, it's means that the resonance effect (R) was larger than inductive effect (I) and field effect (F), and (2) the values of percent resonance and percent field effects were %R = 66.6 and %F = 33.4, respectively, yielding the ratio of resonance effect (R) to field effect (F) of 2 : 1.