New copper(II) coordination compounds with 1,3-bis(5-(pyridin-2-yl)-1,2,4-triazol-3-yl)propane

Two new copper(II) complexes with 1,3-bis(5-(pyridin-2-yl)-1,2,4-triazol-3-yl)propane (H₂L), [Cu₂(HL)Cl₃] · H₂O (I) and [Cu(H₂L)](ClO₄)₂ (II), were described. The compounds were characterized by elemental analysis, IR spectroscopy, and magnetochemical data. According to X-ray diffraction data (CIF files CCDC nos. 1497511 (I), 1497512 (II)), complex I is binuclear and the metal cations are bound by the nitrogen atoms of the triazole ring and by the chloride anion. Complex II is mononuclear. Analysis of the temperature dependence of the magnetic susceptibility of I attests to the antiferromagnetic coupling of paramagnetic centers (–2J = 18 cm^–1). Exchange channels are analyzed by means of density functional theory (B3LYP/6-311G(d)) using the broken symmetry approach.     

Optimization of the synthesis of 5-amino-1,2,4-triazol-3-ylacetic acid and bis(5-amino-1,2,4-triazol-3-yl)methane

The influence of the molar ratio and concentration of the reactants and of the temperature and time of the synthesis on the yield of malonic acid guanylhydrazides in the reaction of aminoguanidine with malonic acid in acidic aqueous solutions was examined, and improved procedures for preparing 5-amino-1,2,4-triazol-3-ylacetic acid and bis(5-amino-1,2,4-triazol-3-yl)methane were suggested.     

3-(4-Phenyl-1,2,4-triazol-3-yl)chromones

The condensation of 4-phenyl-1,2,4-triazol-3-ylacetonitrile with 2-methyl-, 4-ethylresorcinol, and with pyrogallol gave α-(4-phenyl-1,2,4-triazol-3-yl)-2,4-dihydroxyacetophenones. Upon treatment with acid anhydrides and chlorides and subsequent hydrolysis these form 7-hydroxy-3-(4-phenyl)-1,2,4-triazol-3-yl)chromones with different substituents in both the benzene and the pyrone rings. __________ Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 11, pp. 1676–1684, November, 2005.     

Experimental, theoretical and biological activity study on 1-(4,5-dihydro-3-arylpyrazol-1-yl)-2-(1H-1,2,4-triazol-1-yl)-ethanone

Four compounds have been synthesized and characterized by¹H NMR spectroscopy and elemental analyses, among which 1-(4,5-dihydro-3-phenyl-pyrazol-1-yl)-2-(1H-1,2,4-triazol-1-yl)ethanone 3a was further confirmed by X-ray crystallographic analysis. The biological activities of these compounds were tested, with the result that they displayed moderate fungicidal activities. In addition, a MO calculations using density functional theory (DFT) at B3LYP/6-31G^* level have also been carried out, and the structure–activity relationships for these compounds are discussed.     

Transition metal chelates of 1,1-Bis(4-phenyl-5-mercapto-1,2,4-triazol-3-yl)propane

Summary Iron(III), cobalt(II), nickel(II), copper(II) and zinc(II) complexes of 1,1-bis(-4-phenyl-5-mercapto-1,2,4-triazol-3-yl)propane were prepared. Their structures were elucidated by spectral studies, magnetic susceptibility measurements and elemental analyses. The complexes were also evaluated for their fungicidal and seed germination activity.     

Synthesis of 1-(1,2,4-triazol-3-yl)-1,2,3-triazoles

1-(1,2,4-Triazol-3-yl)-1,2,3-triazoles were obtained by 1,3-dipolar cycloaddition of 3-azido-1,2,4-triazole to acetylene derivatives. Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 2, pp. 262–264, February, 1980.     

Parallel solution-phase synthesis of substituted 2-(1,2,4-triazol-3-yl)benzimidazoles

A solution-phase synthesis for the preparation of substituted 2-(1,2,4-triazol-3-yl)benzimidazoles from triazole aldehydes and ortho-phenylenediamines has been developed for the purpose of producing diverse lead generation libraries. Crude products were obtained and further purified by mass-guided preparative HPLC.     

Coordination Compounds of Copper(II) with Bis(5-amino-1,2,4-triazol-3-yl)alkanes

Procedures for synthesis of coordination compounds of copper(II) with bis(5-amino-1,2,4-triazol-3-yl)alkanes as ligands. A conclusion was drawn that the coordination polyhedron of copper(II) has different configurations depending on the structure of the ligand and on the coordination mode.     

Synthesis and biological activity of new heterocyclic compounds 5-[(1,1-dimethyl)ethyl]-3-aryl- (1H-1,2,3-triazol- 1-yl)-5-isoxazolidinols

In this paper new heterocyclic compounds 5-[(1,1-dimethyl)ethyl]-3-aryl-(1H-1,2,3-triazol-1-yl)-5-isoxazolidinols were obtained by the reaction of vinyl triazole derivatives with hydrox-ylamine hydrochloride under the action of sodium carbonate.The biological tests indicate that they had plant-growth regulating activity.     

Crystal structure and characterization of two cadmium(II) coordination polymers with a multidentate N-donor tecton 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole

Two new cadmium(II) complexes [Cd_1.5(L)Cl₂(H₂O)]_{2 n} (1) and [CdL₂] _n (2) with a multidentate N-donor building block 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole (HL) have been prepared and characterized by elemental analysis, infra-red spectra, powder X-ray diffraction (XRD), and single-crystal XRD. 1 is a 2-D layered coordination polymer constructed from linkage of [Cd₃(μ-Cl)₄] trinuclear units with HL spacers, while 2 shows a 2-D layer structure. 3-D supramolecular architectures are further assembled in 1 and 2 via hydrogen-bonding contacts. Both 1 and 2 are thermally stable to 450?°C, and 2 showed strong fluorescent emission bands.     

Synthesis,Crystal Structure and Antitumor Activity of 2-(3-Methyl-5-(methylthio)-4H-1,2,4-triazol-4-yl)isoindoline-1,3-dione

The title compound 2-(3-methyl-5-(methylthio)-4H-1,2,4-triazol-4-yl)isoindoline-1,3-dione(C12H10N4O2S, Mr = 274.30) has been synthesized by a three-step procedure including the cyclization, hydrazinolysis and substitution reactions, and its crystal structure was determined by X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P21/c with a = 12.264(3), b = 14.646(3), c = 14.349(4) , β = 91.69(3)°, μ = 0.255 mm-1, Mr = 274.30, V = 2576.2(10) 3, Z = 8, Dc = 1.414 g/cm3, F(000) = 1136, R = 0.0487 and w R = 0.1329 for 4048 observed reflections with Ⅰ 2σ(Ⅰ). In addition, the preliminary bioassay suggested that the title compound 6 exhibits relatively good antitumor activity against HT-29 and MCF-7.     

Synthesis of 3-methyl-4-(5-R-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazoles

A number of 3-methyl-4-(5-R-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazoles were obtained in high yields by thermal dehydration of acylated 4-methyl-1,2,5-oxadiazole-3-carboxamide hydrazones.     

Synthesis, Structure and Biological Activities of 2- （4-Met hoxybenzoyl ）-N-phenyl- 2- （ 1,2,4-triazol- 1-yl ） thioacetamide

The title compound, 2-(methoxybenzoyl)-N-phenyl-2-(1,2,4-triazol-l-yl) thioacetamide was synthesized by several reactions from 4-methoxyacetophenone, triazole and phenyl isothiocyanate. The structure was identified by elemental analysis, ^1H NMR, MS and IR. The single crystal structure of 2-(methoxybenzoyl)-N-phenyl-2-(1,2,4-triazol-l-yl)thioacetamide was determined withX-ray diffraction. The preliminary bioassays show that the title compound exhibits weak antifungal activities and plant-growth regulatory activity.     

Spacer-Armed Copper(II) Complex Based on Bis(2-pyidyl-1,2,4-triazol-3-yl)butane and 1-Aminoethane-1,1-Diphosphonic Acid

Russian Journal of Coordination Chemistry - The new complex [Cu4L2(H2AEDP)2(H2O)4] · 34H2O was prepared by the reaction of CuSO4 with bis(2-pyridyl-1,2,4-triazol-3-yl)butane (H2L) and...