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EN
Multifunction chalcone: (E)-1-(2,4-dihydroxy phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one (THCH) was synthesized by reacting a 0.01 mol 2,4-dihydroxy acetophenone, and a 0.01 mol 4-hydroxybenzaldehyde using 10 ml of 60% aq. sodium hydroxide as a catalyst and 25 ml of ethanol as a solvent at reflux temperature for 3h. The THCH was crystallized using a water-methanol system. The structure of THCH was supported by UV-Vis, FTIR, 1HNMR, 13CNMR, and mass spectroscopic techniques.
2
80%
EN
A series of chalcones and their derivatives have been synthesized. Chalcones, 1-(1,3-benzodioxol-5-yl)-3-(aryl)-prop-2-en-1-ones were prepared by the aldol condensation of 1-(1,3-benzodioxol-5-yl)ethanones and aryl aldehydes. Based-catalyzed condensation of 1-(1,3-benzodioxol-5-yl)-3-(aryl)prop-2-en-1-ones with ethyl acetoacetate yields corresponding ethyl 4-(1,3-benzodioxol-5-yl)-6-(aryl)-2-oxocyclohex-3-ene-1-carboxylates. Some of the synthesized chalcones were reported in the literature; the newly synthesized compounds were characterized by single crystal X-ray studies, IR, 1H-NMR and LCMS mass spectral analysis. [...]
EN
New chalcone derivatives (7a-7j) and thiosemicarbazone derivatives (9a-9j) containing 2-n-Butyl-4-chloro-5-formyl imidazole nucleus have been synthesized and their chemical structure were evaluated using Infrared spectroscopy (IR), Ultra-violet spectroscopy (UV-Vis.), 1H-NMR spectroscopy and mass spectroscopy. All the synthesized compounds were evaluated for their anti-bacterial activities against Gram-positive bacteria Bacillus subtilis & Staphylococcus epidermidis and gram-negative bacterial strain Pseudomonas aeruginosa & Porteous vulgaris. The anti-fungal activity was evaluated against Aspergillus niger. The activity of the compounds were compared with known standards such as streptomycin and nystatin. Among the synthesized chalcone derivatives 7d, 7g & 7h are potentially active against bacterial strains & fungi. Among the thiosemicarbazone derivatives 9a, 9g, 9j & 9i are moderately active against bacterial strains. While 9d & 9j shows good anti-fungal activity.
EN
A new series of compounds, namely 2-{[4'-(3''-aryl)-2''-propene-1''-one-phenyl]amino}benzoic acids (3a-3j) and 2-{[4'-(5''-aryl)isoxazol-3''-yl]phenyl amino} benzoic acids (4a-4j), were synthesized. The structures of these compounds were confirmed by 1H NMR, IR, Mass spectral analysis. The compounds (3a-3j) and (4a-4j) have been evaluated their antimicrobial activity.
5
Content available remote An ab initio simulation of the UV/Visible spectra of substituted chalcones
70%
Open Chemistry
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2010
|
tom 8
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nr 4
928-936
EN
The electronic absorption spectra of 29 phenyl-ring substituted chalcones have been investigated with the time-dependent density functional theory (TD-DFT) and polarizable continuum TD-DFT (PCM-TD-DFT). It turns out that the hybrid PBE1PBE functional with the 6-31G basis set provide reliable λmax when the solvent effects are included in the model. Comparisons with experimental values lead to a mean absolute error of 12 nm (0.136 eV). Moreover, the observed substituent effects are reproduced by calculation qualitatively. The λmax of substituted chalcone in phenyl ring A is less sensitive to substitution than that in ring B. The linear correlation of Hammett’s substituent constants (σP) with LUMO energies is better with respect to HOMO energies. The calculation reveals that the maximum absorption band mainly results from the π→π* transition from HOMO to LUMO. The analysis of the electron density plots of frontier molecular orbitals show that most transitions should be of valence excitation nature. [...]
EN
The green catalyst Fly-ash:PTS has been prepared and characterized by IR and SEM analysis. Using this catalyst some aryl chalcones have been synthesized by aldol condensation of aryl methyl ketone and substituted benzaldehydes. It has been observed that this reaction yields more than 85% of the product. These chalcones have been characterized by their physical constants and spectral data following the procedures published in literature. The effect of substituents on the spectral data of the chalcones, synthesized, has been studied using single and multi-regression analysis with Hammett equation. The antibacterial and antifungal activities of these chalcones have been studied using Bauer-Kirby method.
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