- Synthesis, biological evaluation and in silico studies of tetrazole-heterocycle hybrids
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The series of three different chemical entities of tetrazole-heterocycle hybrids such as thiophene, pyridine and quinoline tetrazoles were synthesized and characterized for the purpose to develop new lead molecules. Biological evaluations such as in vitro antimicrobial and anti-inflammatory activities were studied. Further, the in silico studies such as Molecular docking (with COX-1, COX-2 and 3TTZ), DFT calculations, the Molecular electrostatic potential (MEP) and ADME were investigated.
- Sribalan, Rajendran,Banuppriya, Govindharasu,Kirubavathi, Maruthan,Padmini, Vediappen
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p. 577 - 586
(2018/09/14)
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- Iron-catalyzed N-arylations of amides
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A method was proposed for iron-catalyzed N-arylation of primary amides and its applicability to the synthesis of N-heterocycles by intramolecular ring closures. The method used a catalyst system of 10 mol % of FeCl3 and 20 mol % of N,N'-dimethylethylenediamine (DMEDA). The study found that secondary amides of N-methylbenzamide and N-benzylbenzamide produce N-arylated products in trace amounts. The method developed an iron-based catalyst system for efficient N-arylations of primary amides with aryl iodides. The study used a sealable tube equipped with a magnetic stir bar charged with amide, or K 3PO4, or K2CO3, or FeCl3. The study used NMR spectroscopic analysis to determine the identity and purity of the products. The method observed that different substituted aryl iodides made a positive impact on the reaction.
- Correa, Arkaitz,Elmore, Simon,Bolm, Carsten
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experimental part
p. 3527 - 3529
(2009/04/11)
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- ELCTRON IMPACT MASS SPECTRA OF SOME 2',3'-, AND 4'-SUBSTITUTED THIOPHENE-2- AND 3-CARBOXANILIDES
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The electron impact mass spectra (EI/MS) of 2- and 3-carboxanilides are dominated by the peak due to the corresponding thenoyl cations formed by cleavage of the C-N amide bond.This reaction is not affected by the polar effect of the substituents present in the phenyl ring.Most of the 2'-substituted derivatives undergo a cyclisation reaction with ejection of the substituent.In addition, for 2'-methyl and 2'-ethyl derivatives of both series of thiophene anilides a cryptic "ortho"-effect was suggested as responsible of the charge retention in the aniline moiety.
- Barbieri, Cristina Lea,Ceraulo, Leopoldo,Maria, Paolo De,Fontana, Antonella,Spinelli, Domenico,Zuppiroli, Luca
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p. 975 - 984
(2007/10/02)
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