Study of the proton chemical shifts and charge distribution in derivatives of aromatic carboxylic acids

Author(s):  
R. M. Aminova ◽  
I. D. Morozova ◽  
T. A. Zyablikova
1991 ◽  
Vol 5 (3) ◽  
pp. 195-201 ◽  
Author(s):  
Abdelkader Meriem ◽  
Rudolph Willem ◽  
Monique Biesemans ◽  
Bernard Mahieu ◽  
Dick de Vos ◽  
...  

1974 ◽  
Vol 52 (1) ◽  
pp. 39-45 ◽  
Author(s):  
Daniel A. Dawson ◽  
Gordon K. Hamer ◽  
William F. Reynolds

Comparisons of 1H chemical shifts and charge densities (determined by CNDO/2 MO calculations) for 4-substituted derivatives of styrene, toluene, benzylchloride, and N,N,N-trimethylphenylammonium ion indicate that the chemical shifts primarily reflect intramolecular electronic effects. These effects are reflected by correlations of 1H chemical shifts with the F and R reactivity parameters of Swain and Lupton. It is concluded that it is valid to correlate substituent-induced chemical shifts for aromatic derivatives with divided reactivity parameters provided that (1) chemical shifts are measured at infinite dilution in a non-polar medium and (2) at least ten derivatives of each family are investigated.Calculations for 4-substituted toluenes indicate that there will be a small conformational dependence for substituent-induced benzylic proton chemical shifts.


1979 ◽  
Vol 28 (5) ◽  
pp. 342-343
Author(s):  
Kyoichi SUGA ◽  
Shoji WATANABE ◽  
Tsutomu FUJITA ◽  
Hideki YASUI ◽  
Toshio ISOBE

2016 ◽  
Vol 71 (12) ◽  
pp. 1287-1300
Author(s):  
Nils Eckhard Kanitz ◽  
Thomas Lindel

AbstractAiming at the development of new photolabeling agents, the synthesis and photoreactivity of all monofluorinated derivatives of 2-azido-1-methylbenzimidazole are described. In the case of 4-, 5-, or 7-fluorination, irradiation in the presence of carboxylic acids (300 nm, Rayonet) afforded the monofluorinated 2-amino-6-acyloxybenzimidazoles in a regioselective manner, presumably after conversion of the initially formed nitrene to the N-cyanodiazaxylylene. Incorporation of chloride was also possible, and yields were comparable to those observed for the non-fluorinated parent compound. When blocking the reactive 6-position by a fluoro substituent, the title reaction was not possible. The analysis of the 19F NMR chemical shifts of the 5- and 7-monofluorinated products allowed the distinction between carboxylates and other nucleophiles.


1992 ◽  
Vol 41 (9) ◽  
pp. 1672-1679 ◽  
Author(s):  
I. D. Ivanchikova ◽  
G. �. Usubalieva ◽  
P. V. Schastnev ◽  
A. A. Moroz ◽  
M. S. Shvartsberg

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