4076-36-2Relevant articles and documents
METHYLATION OF 1-HYDROXYTETRAZOLES
Luk'yanov, O. A.,Shlykova, N. I.
, p. 161 - 165 (1984)
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Synthesis, structural and computational studies of new tetrazole derivatives
Klisuri?, Olivera R.,Oklje?a, Aleksandar M.
, (2020/10/08)
Herein, we report a synthesis of two new disubstituted tetrazoles, 2-(2,4-dinitrophenyl)-5-methyl-2H-tetrazole (2) and 1-(2,4-dinitrophenyl)-5-methyl-1H-tetrazole (3). The products were characterized by 1H and 13C NMR spectroscopy, as well as single-crystal X-ray diffraction. The intermolecular interactions in the crystals were investigated by Hirshfeld surface analysis, 2D fingerprint plots, and noncovalent interaction analysis (NCI). Tetrazole rings of both compounds were found to be involved in both strongest attractive and repulsive intermolecular interactions. DFT calculations were performed using the PW6B95-D3(BJ)/def2-TZVP level of theory in order to obtain information about the molecular electrostatic potential (MEP), and global and local reactivity (dual descriptor) indices of the studied tetrazoles. The calculated molecular electrostatic potentials correlated well with the Hirshfeld surface and NCI plots. The 1,5-disubstituted tetrazole exhibited lower kinetic stability and was slightly more electrophilic than the 2,5-regioisomer. The dual descriptor index was used to reveal electrophilic and nucleophilic sites for both molecules.
Catalytic conversion of 2,4,5-trisubstituted imidazole and 5-substituted 1H-tetrazole derivatives using a new series of half-sandwich (η6-p-cymene)Ruthenium(II) complexes with thiophene-2-carboxylic acid hydrazone ligands
Vinoth, Govindasamy,Indira, Sekar,Bharathi, Madheswaran,Archana, Govindhasamy,Alves, Luis G.,Martins, Ana M.,Shanmuga Bharathi, Kuppannan
, (2020/11/16)
A new series of half-sandwich (η6-p-cymene) ruthenium(II) complexes with thiophene-2-carboxylic acid hydrazide derivatives [Ru(η6-p-cymene)(Cl)(L)] [L = N'-(naphthalen-1-ylmethylene)thiophene-2-carbohydrazide (L1), N'-(anthracen-9-ylmethylene)thiophene-2-carbohydrazide (L2) and N'-(pyren-1-ylmethylene)thiophene-2-carbohydrazide (L3)] were synthesized. The ligand precursors and their Ru(II) complexes (1–3) were structurally characterized by spectral (IR, UV–Vis, NMR and mass spectrometry) and elemental analysis. The molecular structures of the ruthenium(II) complexes 1–3 were determined by single-crystal X-ray diffraction. All complexes were used as catalysts for the one-pot three-component syntheses of 2,4,5-trisubstitued imidazole and 5-substituted 1H-tetrazole derivatives. The catalytic studies optimized parameters as solvent, temperature and catalyst. The catalysts revealed very active for a broad range of aromatic aldehydes presenting either electron attractor or electron donor substituents and, although less active, moderate to high activities were observed for alkyl aldehydes.