title: Substituent effect study on experimental ¹³C NMR chemical shifts of (3-(substituted phenyl)-cis-4,5-dihydroisoxazole-4,5-diyl)bis(methylene)diacetate derivatives.
abstract: Eleven novel (3-(substituted phenyl)-cis-4,5-dihydroisoxazole-4,5-diyl)bis(methylene) diacetate derivatives were synthesized in the present study. These dihydroisoxazole derivatives were characterized by IR, (1)H NMR, (13)C NMR and elemental analyses. Their (13)C NMR spectra were measured in Deuterochloroform (CDCl3). The correlation analysis for the substituent-induced chemical shift (SCS) with Hammett substituent constant (σ), inductive substituent constant (σI), different of resonance substituent constants (σR, σR(o)) and Swain-Lupton substituent parameters (F, R) were performed using SSP (single substituent parameter), and DSP (dual substituent parameter) methods, as well as single and multiple regression analysis. From the result of regression analysis, the effect of substituent on the (13)C NMR chemical shifts was explained.
authors.affiliation: Kocaeli University, Science and Art Faculty, Department of Chemistry, Umuttepe Campus, 41380 Kocaeli, Turkey. Electronic address: yesimkara@kocaeli.edu.tr.
authors.forename: Yesim S
authors.initials: YS
authors.lastname: Kara
mesh_terms: D066241:Carbon-13 Magnetic Resonance Spectroscopy; D060326:Chemistry Techniques, Synthetic; D007555:Isoxazoles / Q000138:chemical synthesis / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*
chemical_list: D007555:Isoxazoles
keywords: (13)C NMR; Correlation analysis; DSP analysis; Dihydroisoxazole; Isoxazole; SSP analysis