scholarly journals Effect of Substituents on Phenazine Derivatives by Spectral Studies

2015 ◽  
Vol 48 ◽  
pp. 114-122
Author(s):  
G. Thirunarayanan ◽  
I. Muthuvel ◽  
V. Sathiyendiran
Keyword(s):  
Regression Analysis ◽  
Statistical Analysis ◽  
Spectral Data ◽  
Chemical Shifts ◽  
Spectral Studies ◽  
Nmr Chemical Shifts ◽  
Effect Of Substituents ◽  
Substituent Constants ◽  
Infrared Frequencies ◽  
C Nmr

A series of eleven substituted dipyrido[3,2-a; 2′,3′-c]phenazine derivatives have been synthesized and examined their purities by literature method. The infrared and 13C NMR spectral data of prepared phenazines were correlated with Hammett substituent constants, F and R parameters using single and multi-regression analysis. From the results of statistical analysis, the effect of substituents on the infrared frequencies (ν, cm-1) and 13C nmr chemical shifts(δ, ppm) has been studied.

Infrared, 1H and 13C NMR Spectral Studies of some 4-([1,1′-Biphenyl]-4-yl)-6-(Substituted Phenyl)-5,6-Dihydro-4H-1,3-Oxazine-2-Amines: Assessment of Substituent Effects

2015 ◽  
Vol 50 ◽  
pp. 9-16
Author(s):  
G. Thirunarayanan ◽  
V. Sathiyendiran ◽  
Ganesan Vanangamudi ◽  
R. Arulkumaran ◽  
V. Manikandan ◽  
...  
Keyword(s):  
Regression Analysis ◽  
Statistical Analysis ◽  
Chemical Shifts ◽  
Substituent Effects ◽  
Spectral Studies ◽  
Microwave Assisted ◽  
Solvent Free Conditions ◽  
Substituent Constants ◽  
Infrared Frequencies ◽  
C Nmr

About ten titled compounds were prepared by microwave assisted silica-phosphoric acid catalysed cyclization of substituted styryl 4-biphenyl ketones and urea under solvent-free conditions. The infrared frequencies (ν, cm-1) of NH2, C=N, COC stretches, NMR spectral chemical shifts (δ, ppm) of NH2, H4-6, C=N, and C4-6 were assigned and correlated with Hammett substituent constants, F and R parameters using single and multi-regression analysis. From the results of statistical analysis, the effect of substituents on the infrared frequencies (ν, cm-1) and NMR chemical shifts (δ, ppm) has been studied.

scholarly journals Structure Parameter Correlation of some Quinoxaline Derivatives through IR and 13C NMR Spectra

2014 ◽  
Vol 38 ◽  
pp. 198-207 ◽  
Author(s):  
Ganesamoorthy Thirunarayanan ◽  
I. Muthuvel ◽  
V. Sathiyendiran
Keyword(s):  
Regression Analysis ◽  
Statistical Analysis ◽  
Spectral Data ◽  
Nmr Spectra ◽  
Structure Parameter ◽  
Effect Of Substituents ◽  
Parameter Correlation ◽  
Quinoxaline Derivatives ◽  
Substituent Constants ◽  
C Nmr

A series of 6-substituted quanoxaline derivatives have been synthesized and examined their purities by literature method. The infrared and 13C NMR spectral data of these quinoxalines were correlated with Hammett substituent constants, F and R parameters using single and multi-regression analysis. From the results of statistical analysis, the effect of substituents on the spectral frequencies has been studied.

scholarly journals Solvent-Free Synthesis and Spectral Linearity of Some (E)-2-(substituted benzylideneamino)-N-(3-chloro-4-fluorophenyl)-hexahydro-2H-cyclopenta[b]thiophene-3-carboxamides

2013 ◽  
Vol 13 ◽  
pp. 160-174 ◽  
Author(s):  
Ganesamoorthy Thirunarayanan ◽  
K.G. Sekar
Keyword(s):  
Statistical Analysis ◽  
Microwave Irradiation ◽  
Spectral Data ◽  
Chemical Shifts ◽  
Solvent Free ◽  
Nmr Chemical Shifts ◽  
Substituent Constants ◽  
Substituted Benzaldehydes ◽  
Solvent Free Synthesis ◽  
Spectral Group

Some (E)-2-(substituted benzylideneamino)-N-(3-chloro-4-fluorophenyl)-hexahydro-2H-cyclopenta[b]thiophene-3-carboxamide derivatives have been synthesized by SiO2:H3PO4 catalyzed solvent-free condensation of 2-amino-N-(3-chloro-4-fluorophenyl)-hexahydro-2H-cyclopenta [b]thiophene-3-carboxamide and various substituted benzaldehydes in microwave irradiation. The yield of the imine-carboximido derivatives has been found to be more than 85 %. The purity of all imine-carboximido derivatives has been checked using their physical constants and spectral data. The spectral data of the imine-carboximido derivatives such as infrared ν (cm-1) of CO, NH, C-N, C-Cl, C-F, C=N, and the NMR chemical shifts (δ, ppm) of NH, CH, CO and C=N have been correlated with Hammett substituent constants, F and R parameters. From the results of statistical analysis, the effects of substituent on the above spectral group absorptions have been discussed.

scholarly journals IR and NMR Spectral Studies of Some 4-(6-methoxy-2-naphthyl)-5,6-dihydro-6-(Substituted Phenyl)-4H-1,3-Oxazine-2-Amines: Assessment of Substituent

2013 ◽  
Vol 23 ◽  
pp. 109-116
Author(s):  
Ganesamoorthy Thirunarayanan
Keyword(s):  
Nmr Spectra ◽  
Chemical Shifts ◽  
Statistical Analyses ◽  
Spectral Studies ◽  
Ir And Nmr Spectra ◽  
Effect Of Substituents ◽  
H Nmr ◽  
Substituent Constants ◽  
C Nmr

A series containing thirteen title compounds were synthesized and recorded IR and NMR spectra. The infrared νNH, C=N(cm-1)stretches, 1H NMR δNH, 13C NMR δC=N(ppm) chemical shifts of synthesized oxazine amines were assigned and correlated with Hammett substituent constants, F and R parameters. From the results of statistical analyses, the effect of substituents on the above spectral frequencies can be discussed.

scholarly journals Infrared and 13C NMR Spectral Studies of some Aryl Hydrazides: Assessment of Substituent Effects

2014 ◽  
Vol 32 ◽  
pp. 88-94 ◽  
Author(s):  
Ganesamoorthy Thirunarayanan ◽  
K.G. Sekar ◽  
R. Lakshmi Narayanan
Keyword(s):  
Regression Analysis ◽  
Statistical Analysis ◽  
Linear Regression ◽  
Linear Regression Analysis ◽  
Substituent Effects ◽  
Spectral Studies ◽  
Substituent Constants ◽  
Multi Linear Regression ◽  
Spectral Group ◽  
C Nmr

A series of some aryl hydrazides have been synthesized. These hydrazides purities were analyzed by physical constants and spectral data. The assigned spectral group frequencies were correlated with Hammett substituent constants and Swain-Lupton parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effect of substituents on the spectral group frequencies has been discussed

scholarly journals Spectral Correlations in some Substituted Styryl (E)-4-((2-Oxopropyl)Diazenyl) Benzoic Acids

2014 ◽  
Vol 30 ◽  
pp. 33-43
Author(s):  
V. Sathiyendiran ◽  
K.G. Sekar ◽  
Ganesamoorthy Thirunarayanan ◽  
R. Arulkumaran ◽  
R. Sundararajan ◽  
...  
Keyword(s):  
Regression Analysis ◽  
Statistical Analysis ◽  
Linear Regression ◽  
Linear Regression Analysis ◽  
Benzoic Acids ◽  
Effect Of Substituents ◽  
Substituent Constants ◽  
Multi Linear Regression ◽  
Spectral Group

A series of titled compounds were prepared and analyzed their purities by literature method. The infrared and NMR spectral group frequencies of the compounds were assigned and correlated with Hammett substituent constants, F and R constants using single and multi linear regression analysis. From the results of statistical analysis, the effect of substituents on the above spectral frequencies was discussed.

Synthetic, Infrared, 1H and 13C NMR Spectral Studies on N-(2/3/4-Substituted Phenyl)-2,4-Disubstituted Benzenesulphonamides, 2,4-(CH3)2/2-CH3-4-Cl/2,4-Cl2C6H3SO2NH(i-XC6H4) (i-X = H, 2-CH3, 3-CH3, 4-CH3, 2-Cl, 3-Cl, 4-Cl, 4-F, 4-Br)

2006 ◽  
Vol 61 (10-11) ◽  
pp. 600-606
Author(s):  
Savitha M. Basappa ◽  
Basavalinganadoddy Thimme Gowda
Keyword(s):  
Solid State ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Spectral Studies ◽  
1H And 13C Nmr ◽  
Nmr Chemical Shifts ◽  
Benzene Rings ◽  
Stretching Vibrations ◽  
Absorption Frequencies ◽  
C Nmr

Twenty six N-(2/3/4-substituted phenyl)-2,4-disubstituted benzenesulphonamides of the general formulae 2,4-(CH3)2C6H3SO2NH(i-XC6H4), 2-CH3-4-ClC6H3SO2NH(i-XC6H4) and 2,4- Cl2C6H3SO2NH(i-XC6H4), where i-X = H, 2-CH3, 3-CH3, 4-CH3, 2-Cl, 3-Cl, 4-Cl, 4-F or 4-Br, have been prepared, characterized and their infrared spectra in the solid state and 1H and 13C NMR spectra in solution studied. The infrared N-H stretching vibrational frequencies vary in the range 3298 - 3233 cm−1. Asymmetric and symmetric SO stretching vibrations appear in the ranges 1373 - 1311 cm−1 and 1177 - 1140 cm−1, respectively, while C-S, S-N and C-N stretching absorptions vary in the ranges 840 - 812 cm−1, 972 - 908 cm−1 and 1295 - 1209 cm−1, respectively. The various 1H and 13C NMR chemical shifts are assigned to the protons and carbon atoms of the two benzene rings in line with those for similar compounds. The incremental shifts due to the groups in the parent compounds have been computed by comparing the chemical shifts of the protons or carbon atoms in these compounds with those of benzene or aniline, respectively. The computed incremental shifts and other data were used to calculate the 1H and 13C NMR chemical shifts of the substituted compounds in three different ways. The calculated chemical shifts by the three methods compared well with each other and with the observed chemical shifts. It is observed that there are no particular trends in the variation of either the infrared absorption frequencies or the chemical shifts with the nature or site of substitution.

Chemometrical analysis of substituent effects on 13C and 15N NMR chemical shifts in 1-aroyl-3-substituted thioureas

1989 ◽  
Vol 54 (9) ◽  
pp. 2399-2407 ◽  
Author(s):  
Oldřich Pytela ◽  
Josef Jirman ◽  
Antonín Lyčka
Keyword(s):  
Latent Variables ◽  
Chemical Shifts ◽  
Substituent Effects ◽  
The Other ◽  
15N Nmr ◽  
Nmr Chemical Shifts ◽  
Additional Constant ◽  
Substituent Constants ◽  
Derivatives Of ◽  
C Nmr

The methods of conjugated deviations and regression analysis have been used to study the substituent effects on 13C and 15N NMR chemical shifts of 12 derivatives of 1-aroyl-3-phenylthiourea and 1-aroyl-3-methylthiourea. The 13C NMR chemical shifts can be described by two latent variables, one univocally correlated with the Hammett substituent constants (r = 0.993) and the other reflecting the increased shielding of the nuclei due to overlap of the adjacent bond electrons as a consequence of electron-donor or electron-acceptor character of the substituents.This effect is less pronounced with the 15N nuclei. Application of dual substituent constants σR, σF with the additional constant σα describing the polarization has failed in giving sufficiently close correlations and explanation of the substituent effect found.

scholarly journals Infrared and NMR Spectral Hammett Correlations in 4-(2-Naphthyl)-5,6-Dihydro-6-(Substituted Phenyl)-4H-1,3-Oxazine-2-Amines

2014 ◽  
Vol 27 ◽  
pp. 38-46
Author(s):  
Ganesamoorthy Thirunarayanan ◽  
S. Pazhamalai ◽  
K.G. Sekar
Keyword(s):  
Regression Analysis ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Ir And Nmr Spectra ◽  
Nmr Chemical Shifts ◽  
Substituent Constants ◽  
Single Regression

A series containing ten titled compounds have been synthesised and recorded the IR and NMR spectra. From the spectra the infrared νNH, C=N, C-O-C stretches, NMR chemical shifts of (δ, ppm) NH and C=N were assigned and correlated with Hammett substituent constants, F and R parameters using single regression analysis. From the results, the effects of substituent on the above spectral frequencies were discussed.

scholarly journals Synthesis, Spectral Studies, Pharmacological and Insect Antifeedant Activities of some (E)-1-(2-(2-Benzyloxy-3-Methacrylate))-1-Naphthyl Enones

2015 ◽  
Vol 57 ◽  
pp. 51-65
Author(s):  
G. Thirunarayanan ◽  
S. Dineshkumar ◽  
R. Arulkumaran ◽  
R. Sundararajan ◽  
D. Kamalakkannan ◽  
...  
Keyword(s):  
Spectral Data ◽  
Chemical Shifts ◽  
Radical Scavenging ◽  
Spectral Studies ◽  
Mass Spectral Data ◽  
Mass Spectral ◽  
Substituent Constants ◽  
Dpph Radical Scavenging ◽  
Bio Assay ◽  
Methyl Phenyl

Totally twelve title compounds have been synthesized by Claisen-Schmidt condensation of (E)-methyl 2-(2-(((1-acetylnaphthalen-2-yl) oxy) methyl) phenyl)-3-methoxy acrylate and substituted benzaldehydes in presence of catalytic quantity of LiOH.H2O catalyst under stirring in room temperature. The yields of the compounds are more than 92%. The synthesized titled compounds were characterized by their physical constants, IR, NMR and Mass spectral data. The spectral data such as infrared ν COs-cis, s-trans, COester, NMR chemical shifts (δ, ppm) of Hα, Hβ, Cα, Cβ, CO of enone moiety, Hβʹ and CO of acrylate moieties have been correlated with Hammett substituent constants, F and R parameters. The antimicrobial, antioxidant and insect antifeedant activities of all synthesized compounds have been evaluated using corresponding bacterial and fungal strains, DPPH radical scavenging and Disc diffusion bio-assay of 4th instar larvae Achoea Janata L with castor-leaf discs.

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