Determination of the second-order 1H NMR parameters for the aromatic protons in 4-fluoroaniline and application to the analysis of the 1H NMR spectra for the aromatic protons in N4-(4′-fluorophenyl)succinamic acid and in N4-(4′-fluorophenyl)-3,3-difluorosuccinamic acid

Unusual Oxidative Dimerization in the 3-Aminothieno[2,3-b]pyridine-2-carboxamide Series

“…The multiplets of H-3′,5′ atoms, which appeared as doublets of doublets collapsed to triplets due to spin–spin coupling to fluorine atom and H-2′,6′ atoms, are well resolved, and the spectral picture at −40 °C is closer to the spectrum in the absence of exchange than to the state of intermediate exchange (Figure ). The line width at half maximum of the reference signals was taken equal to 2.8 Hz similar to 31f , and spin–spin coupling constants were accepted as those reported for 4-fluoroaniline . Theoretical spectra (Figure , red lines) were simulated by variation of rate constants for the exchange of reference proton signals in the aryl rings, and these theoretical spectra were compared with temperature-dependent experimental spectra.…”

“…The line width at half maximum of the reference signals was taken equal to 2.8 Hz similar to 31f, and spin−spin coupling constants were accepted as those reported for 4-fluoroaniline. 118 Theoretical spectra (Figure 6, red lines) were simulated by variation of rate constants for the exchange of reference proton signals in the aryl rings, and these theoretical spectra were compared with 7.…”

Theoretical Study on Fluorinated Derivatives of Sulfolane, Cyclopentanone, and Gamma-Butyrolactone

“…The deoxyfluorination of hydroxy-γ-butyrolactone is also a well-established procedure [52]. The preparation of GBL-A2 was not described, but the preparation could be considered from 2,2-difluorobutanedioic acid [53,54], 2,2-difluoro-1,4-butanediol by cyclization [55], or from 3,3-difluorodihydro-2,5-furandione [55] by hydrogenation. These precursors are readily available compounds.…”