Partition coefficients of some N-alkyl- and N,N-dialkyl-derivatives of some cinnamamides and benzalcyanoacetamides in the system cyclohexane–water

1969 ◽  
Vol 47 (17) ◽  
pp. 3273-3277 ◽  
Author(s):  
A. D. Delaney ◽  
D. J. Currie ◽  
H. L. Holmes
Keyword(s):  
Partition Coefficients ◽  
Substituent Constants ◽  
Derivatives Of

Substituent constants, π, and substituent interaction constants, π interaction, for the groups —CONHR and —CONRR have been derived which allow the calculation of the partition coefficients of the title compounds.

Substituent Constants for Aliphatic Functions Obtained from Partition Coefficients

1965 ◽  
Vol 8 (2) ◽  
pp. 150-153 ◽  
Author(s):  
Junkichi Iwasa ◽  
Toshio Fujita ◽  
Corwin Hansch
Keyword(s):  
Partition Coefficients ◽  
Substituent Constants

scholarly journals Partition coefficients of ketones, phenols, aliphatic and aromatic acids, and esters in n-hexane/nitromethane

2011 ◽  
Vol 9 (5) ◽  
pp. 813-824 ◽  
Author(s):  
Urszula Kotowska ◽  
Valery Isidorov
Keyword(s):  
Analytical Chemistry ◽  
Partition Coefficients ◽  
Structural Parameters ◽  
Aromatic Acids ◽  
Chromatographic Separations ◽  
Determination Procedure ◽  
Trimethylsilyl Derivatives ◽  
Mathematical Relationships ◽  
Liquid Chromatographic ◽  
Derivatives Of

AbstractLiquid-liquid partition is used in sample preparation and in countercurrent and liquid-liquid chromatographic separations. Partition coefficients are widely used in toxicology, environmental, and analytical chemistry. The K hn determination procedure for the n-hexane/nitromethane system was optimized and partition coefficients for 99 ketones, esters and trimethylsilyl derivatives of phenols, aliphatic and aromatic acids were determined. For 130 compounds, K hn values were predicted using mathematical relationships between K hn and other physicochemical and structural parameters.

Structural Effects on Nitrile Infrared Integrated Intensities of Alpha,Beta-Diaryl Cyanoethylenes: Hammett and Quantum Chemical Approaches

1978 ◽  
Vol 33 (5) ◽  
pp. 557-563 ◽  
Author(s):  
Ivan Juchnovski ◽  
Rositza Kuzmanova ◽  
Jordan Tsenov ◽  
José Kaneti ◽  
Ivan Binev
Keyword(s):  
Steric Hindrance ◽  
Quantum Chemical ◽  
Nitrile Group ◽  
Structural Effects ◽  
Mo Calculations ◽  
Infrared Intensities ◽  
Substituent Constants ◽  
Alpha Beta ◽  
Integrated Intensities ◽  
Derivatives Of

AbstractThe nitrile infrared intensities of a series of a,β-diaryl cyanoethylenes were juxtaposed to the associated substituent constants, HMO and SCF-MO indices and fair to excellent correlations were established. The competitive resonance of the nitrile group with alpha-and beta-aryl substituents is discussed. HMO calculations were used to estimate the steric hindrance to conjugation caused by polycyclic substituents and SCF-MO calculations were made to obtain uniform predictions of nitrile intensities and frequencies for hetero-cyclic derivatives of acrylonitrile.

scholarly journals Study of physico-chemical properties of potential beta-adrenolytics

2014 ◽  
Vol 61 (2) ◽  
pp. 49-54
Author(s):  
M. Stankovičová ◽  
Ž. Bezáková ◽  
P. Mokrý ◽  
P. Salát ◽  
M. Kočík ◽  
...  
Keyword(s):  
Partition Coefficients ◽  
Spectral Characteristics ◽  
Chemical Properties ◽  
Side Chain ◽  
Log P ◽  
Structure Activity ◽  
Physico Chemical ◽  
The Relationship ◽  
Layer Chromatography ◽  
Derivatives Of

Abstract The aim of this paper is the study of physico-chemical properties of the chosen compounds, derivatives of 2-hydroxy-3-[2-(4-methoxyphenyl) ethylamino]propyl-4-[(alkoxycarbonyl)amino]benzoates and 2-hydroxy-3-[2-(2-methoxyphenyl)ethylamino]propyl-4-[(alkoxycarbonyl) amino]benzoates with potential ultra-short beta-adrenolytic activity. The studied compounds are different in the position of the substituent on the benzene ring in the side chain as well as in the aromatic ring in position 4 with alkyl- (methylto butyl-) carbamate. The physico-chemical characteristics, for example, lipophilicity, surface activity, adsorbability, acidobasic properties etc., are very important for the explanation of the relationship between structure and biological activity of the drug. These parameters serve as the base of quantitative structure-activity study. The goal of this work is to establish the spectral characteristics of studied compounds in UV-area, pKa values, the parameters of lipophilicity (the values of Rf and RM from thin layer chromatography, retention time t´R and capacity factor k´ from liquid chromatography and experimental partition coefficients log P´ values), surface tension, critical micelle concentrations, the adsorbability of compounds expressed by percent of adsorbed compound on active charcoal β% as well as by Freundlich adsorption isotherms. The obtained values are correlated with the parameters characterising the size of molecule, for example, the number of carbon atoms on carbamate functional group.

Partition coefficients and ultraviolet absorption maxima for the cinnamoyl derivatives of some long-chain and large-ring amines

1970 ◽  
Vol 48 (8) ◽  
pp. 1340-1343 ◽  
Author(s):  
D. J. Currie ◽  
H. L. Holmes
Keyword(s):  
Nitrogen Atom ◽  
Chain Length ◽  
Partition Coefficients ◽  
The Other ◽  
Ring Size ◽  
Amide Nitrogen ◽  
Derivatives Of ◽  
Limiting Value ◽  
Long Chain ◽  
Amide Nitrogen Atom

Partition coefficients of the title compounds in the system cyclohexane–water do not increase steadily with increasing chain length or ring size but level off to a limiting value. Reasons are advanced to account for this observation. Absorption maxima, on the other hand, are not influenced by the size of the ring or the length of the chain but are dependent only upon the degree of substitution on the amide nitrogen atom.

scholarly journals Determination of the Lipophilicity of Some New Derivatives of Semicarbazide and 1,2,4-Triazol-5-one with Potential Antibacterial Activity

2009 ◽  
Vol 64 (5) ◽  
pp. 570-576 ◽  
Author(s):  
Monika Pitucha ◽  
Beata Polak ◽  
Ryszard Świebodac ◽  
Urszula Kosikowska ◽  
Anna Malm
Keyword(s):  
Antimicrobial Activity ◽  
Antibacterial Activity ◽  
Partition Coefficients ◽  
Chromatographic Behavior ◽  
Derivatives Of

The chromatographic behavior of new derivatives of 1,2,4-triazol-5-one and semicarbazide was determined. The lipophilicity was confirmed by the use of a RP-TLC method. The partition coefficients were calculated by use of theoretical procedures. The correlation between theoretical and experimental lipophilicity was determined. All obtained compounds were tested for their antimicrobial activity.

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