Some Applications of the Graphic Method

There are discussed three groups of problems which are solved with the help of the graphic method

SYNTHESIS OF SOME NOVEL BENZIMIDAZOL-2-ONE DERIVATIVES

For the development of medical and pharmaceutical chemistry is essential to optimize and change relevant structures, possessing biological activity. Herein we report the synthesis of some novel 1H-benzimidazolon-2-one derivatives using aza-Michael addition.For the development of medical and pharmaceutical chemistry is essential to optimize and change relevant structures, possessing biological activity. Herein we report the synthesis of some novel 1H-benzimidazolon-2-one derivatives using aza-Michael addition

За понятията «обучение» и «междукултурна компетентност» – начини на употреба

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Synthesis, configuration and properties of some new 3,4,5-substituted oxazolidin-2-ones

Novel 3,4,5-substituted-oxazolidin-2-ones containing piperazine, 1-(4-chlorophenyl) piperazine, benzhydrylpiperazine, morpholine and piperidine rings were synthesized via Mannich reaction. The stereochemistry of syn and anti-isomers was assigned using the observed differences in the chemical shifts of the oxazolidinone ring protons and the values of vicinal coupling constants (3J) between the two protons of the oxazolidin-2-one ring. For all compounds NOE (Nuclear Overhauser Effect) NMR spectra were measured in order to prove additionally the position of the substituents in the oxazolidin-2-one ring. Some physic chemical, steric and electronic properties of the compounds were determined in order to establish the similarity between the synthesized and reference compounds. The performed computations showed that the anti-isomers possessed lower electronic energies in comparison to these of syn-compounds. The nucleus-nucleus repulse energies (NRE) and the highest occupied molecular orbital energies (HOMO) of the anti-isomers are higher than the HOMO and NRE energies of syn-compounds. The Connolly Solvent Accessible Surface Area (SAS) and Connolly Molecular Surface Area (MS) values of anti-isomers are lower than these of syn-isomers. The same relations were observed for the reference compounds. Probably the differences in the electronic and steric properties are responsible not only for the higher LD50 value of the reference anti-compound, but also may contribute to the higher toxicity of the prepared anti-Mannich bases in comparison to that of the syn-diastereoisomers

SYNTHESIS AND ANTI-TRICHINELLA SPIRALIS ACTIVITY IN VITRO OF SOME NEW 1H-BENZIMIDAZOLES

Novel derivatives of 1H-benzimidazole which combine into a single molecule two pharmacophores – the benzimidazole and piperazine rings possessing antihelmintic activity have been synthesized. Their structures were confirmed by IR, 1H NMR, 13C NMR and elemental analysis techniques.The compounds exhibited remarkable effect on the viability of isolated Trichinella spiralis muscle larvae in in vitro model at a dose of 100 μg/ml after 24 h. The results obtained by the hepatotoxicity test showed that compound 4 had the lowest hepatotoxity.Novel derivatives of 1H-benzimidazole which combine into a single molecule two pharmacophores – the benzimidazole and piperazine rings possessing antihelmintic activity have been synthesized. Their structures were confirmed by IR, 1H NMR, 13C NMR and elemental analysis techniques.The compounds exhibited remarkable effect on the viability of isolated Trichinella spiralis muscle larvae in in vitro model at a dose of 100 μg/ml after 24 h. The results obtained by the hepatotoxicity test showed that compound 4 had the lowest hepatotoxity

7-Benzyl-3-(4-fluoro­phen­yl)-2-propyl­amino-5,6,7,8-tetra­hydro­pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one

In the title compound, C25H25FN4OS, the thienopyrimidine fused-ring system is close to planar (r.m.s. deviation = 0.0089 Å), with a maximum deviation of 0.0261 (17) Å for the N atom adjacent to the benzene ring. This thienopyrimidine fused-ring system forms dihedral angles of 64.73 (3) and 81.56 (5)° with the adjacent benzyl and fluoro­phenyl rings, respectively. Inter­molecular N—H⋯F and C—H⋯F hydrogen bonding, as well as C—F⋯π inter­actions [F⋯centroid = 3.449 (3) Å; C—F⋯centroid = 91.87 (15)°], help to stabilize the crystal structure