Studies on the Reaction of Vinyl Triazole Derivatives with Hydroxylamine

In this paper the reaction of vinyl triazole derivatives with hydroxylamine hydrochloride under the action of sodium carbonate was studied. The result indicated that cyclization took place and new heterocyclic compounds of 1,2-oxazocyclopentanes were obtained.

Synthesis of 4-Amino-5-furyl-2-yl-4H-1, 2, 4-triazole-3-thiol Derivatives as a Novel Class of Endothelin(ET) Receptor Antagonists

A series of novel 3-alkylthio-4-arylideneamino-5-(2-furyl)-1, 2, 4-triazole derivatives were synthesized. Their chemical structures were confirmed with elemental analysis and spectral data. Endothelin(ET) receptor competitive binding assay showed that some compounds exhibited high selective as potent ET-1 receptor antagonist.

New triazole derivatives containing substituted 1,2,3-triazole side chains:Design,synthesis and antifungal activity

In order to discover new generation of triazole antifungal agents,a series of novel antifungal triazoles were designed and synthesized by structural simplification of our previously identified triazolepiperdine-heterocycle lead compounds.Several target compounds showed good antifungal activity with a broad spectrum.In particular,compound 71 was highly active against Candida albicans and Candida glabrata.Moreover,compound 71 showed potent in vivo antifungal efficacy in the Caenorhabditis elegans-C.albicans infection model.

Support vector classification for structure-activity-relationship of 1-（ 1H- 1,2,4-triazole- 1-yl）- 2-（ 2,4-difluorophenyl）-3-substituted-2- propanols

The support vector classification （SVC） was employed to make a model for classification of antifungal activities of 1-（1H-1,2,4-triazole-l-yl）-2-（2,4-difluorophenyl）-3-substituted-2-propanols triazole derivatives. The compounds with high antifungal activities and those with low antifungal activities were compared on the basis of the following molecular descriptors： net atomic charge on the atom N connecting with R, dipole moment and heat of formation, By using the SVC, a mathematical model was constructed, which can predict the antifungal activities of the triazole derivatives, with an accuracy of 91% on the basis of the leave-one-out cross-validation （LOOCV） test, The results indicate that the performance of the SVC model can exceed that of the principal component analysis （PCA） and K-Nearest Neighbor （KNN） models for this real world data set.

Syntheses,Structure and Biological Activities of 2-(1H-Benzo [1,2,3]triazole-1-yl)-1-(3-methyl-4-bromobiphenyl)-2-(1H-1,2,4-triazole-1-yl)ethanone

1,2,4-Triazole derivatives represent an interesting class of heterocyclic compounds and have become the most with rapidly expanding group of antifungal compounds the advantages of toxicity, high oral bioavailability, and broad spectrum of activity against several fun- gi, including most yeasts and folanentous fungi . The triazole fungicides are agrochemicals that are used world wide in the agricultural industry because of their wide spectrum of action, A variety of benzotriazoles exhibit growth-inhibiting activities against some microorganisms and other derivatives possessing anti-inflammatory properties.

Synthesis,Structure and Biological Activities of 2-(1H- 1,2,3-Benzotriazol-1-yl)-1-(4-methylphenyl)-2- (1H-1,2,4-triazol-1-yl)-1-ethanone

The title compound was synthesized and characterized by IR, ^1H NMR, elemental analysis and single crystal X-ray diffraction analysis. Its biological activities were also tested. The results show that the title compound reveals inhibiting activities towards wheat gibberellin, apple ringspot, tomato early blight, peanut cercospora arachidicola and stem wilt of asparagus.

Synthesis and biological activities of some fluorine- and piperazine-containing 1,2,4-triazole thione derivatives

A series of fluorine- and piperazine-containing 1,2,4-triazole thione derivatives were synthesized by the Mannich reaction of triazole intermediates with various substituted piperazines and formaldehyde in high yields. Structures of title compounds were confirmed by melting points, IR,~1H NMR,^（13）C NMR and elemental analysis. The preliminary bioassays for 17 novel title compounds showed that several compounds have significant fungicidal activity against Cercospora arachidicola, Physalospora piricola and Rhizoctonia cerealis at 50 mg/m L.

Crystal Structures and Characterizations of Bis(1-benzoyl-methyl-benzotriazole-N^3)dichoro Metal(II) Complex:[MCl_2-(C_6H_4N_3CH_2COPh)_2][M=Zn(II),Co(II)]

The structures of [MCl2(C6H4N3CH2COPh)2] [M=Zn(II) (1), Co(II) (2)] have been determined by X-ray crys-tallography. They were characterized by elemental analysis, IR spectrum, electronic spectrum and thermogravimet-ric-differential thermal analysis. They all crystallize in the triclinic system, space group P? with lattice parameters a=0.9449(2) nm, b=1.1291(2) nm, c=1.3637(3) nm, a=111.70(3)o, b=94.33(3)o, =90.97(3), Z=2 for com-pound 1; a=0.9437(2) nm, b=1.1277(2) nm, c=1.3650(3) nm, =111.76(3)o, =94.50(3)o, =90.80(3)o, Z=2 for compound 2. The metal ions are all coordinated by two Cl- anions and two nitrogen atoms of 1-benzoylmethyl-benzotriazole ligands, forming the distorted tetrahedral geometry. The ZnCl and ZnN bond lengths are 0.2209(2), 0.2210(2) nm and 0.2059(4), 0.2067(4) nm, respectively. The CoCl and CoN bond lengths are 0.2215(2), 0.2222(2) nm and 0.2028(5), 0.2045(5) nm, respectively. The thermogravimetric (TG) data indicate that they are nearly similar in TG curve, and there are not structural transitions in the two compounds. They all have a high thermal stability. But, there is little difference in DTG (differential thermogravimetric) curves of those two compounds. Elemental analysis, electronic and IR spectra are in agreement with the structural data.

Thermal Behavior and Decomposition Kinetics of the Complexes of CuX_2 (X=NO_3, Br, Cl and ClO_4) with 3,3'-Dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone

The thermal behaviors of the complexes of Cu(DMTZB)4X2 (DMTZB=3,3'-dimethyl-1-(1H-1,2,4-triazol-1- yl)-2-butanone, X=NO3 or ClO4) and Cu(DMTZB)2 X2 (X = Br or Cl) in a nitrogen atmosphere were studied un-der the non-isothermal conditions by simultaneous TG-DTG-DSC, EDS and elemental analysis techniques. The re-sults showed that their decomposition proceeded in three different ways mainly depending on the anions in the molecules. The heat effect associated with the decomposition step of DMTZB molecules was also different. The decomposition mechanisms and the kinetic parameters of DMTZB were determined and calculated by jointly using four methods, which showed that its pyrolysis was controlled by D3 mechanism but with different activation ener-gies and pre-exponential factors for different complexes.