- Synthetic and Structural Studies on Novel 4,3′-Bicoumarins
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A series of directly linked 4-3′ bicoumarins have been synthesized by both Knoevenagel and Perkin reactions. This single-step transformation was accomplished by the reaction of coumarin-4-acetates with substituted salicylaldehydes in presence of piperidin
- Pujar, Kiran K.,Kulkarni, Manohar V.,Alawandi, Ganesh N.,Anilkumar,Basanagouda, Mahantesha
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- Molecular structure, optoelectronic properties, spectroscopic (FT-IR, FT-Raman and UV–Vis), H-BDE, NBO and drug likeness investigations on 7, 8-benzocoumarin-4-acetic acid (7BAA)
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Experimental and theoretical spectroscopic studies were performed for the 7, 8-benzocoumarin-4-acetic acid (7BAA). The research work was performed in two levels. In the first level, experimental FT-IR, FT-Raman and UV–Vis spectral data were recorded. In the next level, the theoretical computations have been conducted from DFT?B3LYP?6-311++G (d, p) basis level. Initially theoretical geometrical parameters were obtained and compared with the related experimental parameters. The computed FT-IR and FT-Raman frequencies collected from same basis level and compared with experimental data. The important wavenumber assignments were achieved on the PED of individual vibrational mode. Theoretical (TD-DFT) and experimental UV–Vis absorption wavelengths (λ) were compared with each other. The FMO, NBO, MEP analyses were performed. In addition, molecular dynamic (MD) simulations, molecular docking and selected optoelectronic properties have been studied.
- Khemalapure, Seema S.,Katti, Vinay S.,Hiremath, Chidanandayya S.,Basanagouda, Mahantesha,Hiremath, Sudhir M.,Armakovi?, Sanja J.,Armakovi?, Stevan
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- Facile intramolecular Diels-Alder reaction of 4-(o-propargyloxy) styrylcoumarins leading to highly fluorescent coumarin-containing polycyclic compounds
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The 4-(o-propargyloxy)styrylcoumarins are prepared by the condensation of O-propargylated salicylaldehyde with substituted coumarin-4-acetic acids. The intramolecular Diels-Alder reaction of 4-(o-propargyloxy)styrylcoumarins, without any catalyst gives fu
- Khatri, Adil I.,Samant, Shriniwas D.
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p. 2362 - 2365
(2014/05/06)
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- Studies on synthesis of various N-substituted derivatives with different heterocycles and their herbicidal activity
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Coumarin 4-methyl acetates are oxidized to coumarin-4- methyl glyoxalate using SeO2. Unlike the oxidative decaboxylation observed in the case of coumarin-4-acetic acid, here the oxidation is very selective for active methylene group, without affecting the COOH group protected with ester function. The product thus formed is analogous to the phenyl glyoxalic acid methyl ester i.e. coumarin 4-methyl glyoxalate and can be a useful moiety for the various synthetic manipulations of heterocycles substituted at 4-position of the coumarin showing promising herbicidal activity. Different heterocycles substituted at 4-position of the coumarin moiety have been synthesized. The herbicidal activity of these compounds has been evaluated. Zea Mays and Green Gram have been used for pre-emergence and postemergence screening of the herbicidal activity.
- Mashelkar,Tungare, Shefali S.,Bhagat, Sachin
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experimental part
p. 315 - 320
(2011/04/27)
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- Synthesis and in vitro anti-HIV activity of N-1,3-benzo[d]thiazol-2-yl-2- (2-oxo-2H-chromen-4-yl)acetamide derivatives using MTT method
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A series of novel N-1,3-benzo[d]thiazol-2-yl-2-(2-oxo-2H-chromen-4-yl) acetamide derivatives has been synthesized. All the newly synthesized compounds were evaluated for their anti-HIV activity using MTT method. Most of these compounds showed moderate to potent activity against wild-type HIV-1 with an EC50 ranging from >7 EC50 [μg/ml] to 50 [μg/ml]. Among them, N-1,3-benzo[d]thiazol-2-yl-2-(2-oxo-2H- chromen-4-yl)acetamide 6v was identified as the most promising compound (EC 50 = 7 μg/ml). Among all the compounds, three compounds 6m, 6v and 6u have been exhibits potent anti-HIV activity against MT-4 cells.
- Bhavsar, Dhairya,Trivedi, Jalpa,Parekh, Shrey,Savant, Mahesh,Thakrar, Shailesh,Bavishi, Abhay,Radadiya, Ashish,Vala, Hardevsinh,Lunagariya, Jignesh,Parmar, Manisha,Paresh, Ladwa,Loddo, Roberta,Shah, Anamik
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scheme or table
p. 3443 - 3446
(2011/06/24)
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- Synthesis of potentially photoactivatable coumarin derivatives via a 1,3-dipolar cycloaddition
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(Chemical Equation Presented) A copper (I)-catalyzed 1,3-dipolar cycloaddition reaction was used to prepare a series of mono and disubstituted 1,2,3-triazolyl-coumarins using a 1,3-cycloaddition ("Click Chemistry"). Starting coumarins were synthesized using classical or modified Pechmann's reaction. The propargyl group was introduced as either propargylether or as a propargylamide. Azides were prepared in a three steps procedure. Cycloaddition products, containing a coumarin and a photoactivatable moiety, were obtained in good yields.
- Chenot, Elodie-Denise,Rodriguez-Dominguez, Juan Carlos,Hannewald, Paul,Comel, Alain,Kirsch, Gilbert
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experimental part
p. 1429 - 1435
(2009/04/07)
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