Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1410443 | Journal of Molecular Structure | 2009 | 8 Pages |
Abstract
The 4,4â²-bis(3-substituted-4,5-dihydro-1H-1,2,4-triazol-5-one-4-yl)diphenylmethane derivatives 3 were synthesized in the cyclization reaction of semicarbazide derivatives 2 in alkaline solution. The synthesized compounds were characterized by elemental analyses, IR, 1H and 13C NMR, as well as MS. Molecular structure of compound 3a was determined by the X-ray analysis. Theoretical calculations (DFT/B3LYP/6-311Gââ) of molecular structures were carried out for all final (cyclic) compounds. In addition vibrational spectrum of 3a was reproduced by means of the single-parameter and SQM scaling approaches and the assignment of bands was proposed. Investigated new compounds exhibit antinociceptive properties.
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Authors
Monika Pitucha, Piotr Borowski, Zbigniew Karczmarzyk, Andrzej FruziÅski,