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Treatment of 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one ( 1 ) with picryl fluoride (PkF) in 1-methyl-2-pyrrolidinone (NMP) gave a mixture of a monopicryl and a dipicryl derivative of 1 in a ratio of 2 :1 , respectively, regardless of the initial concentrations of 1 and PkF. The products were identified as 5-nitro-2-picryl-2,4-dihydro-3H-1,2,4-triazol-3-one ( 2 ) by X-ray crystallography and 5-nitro-2,4-dipicryl-2,4-dihydro-3H-1,2,4-triazol-3-one ( 4 ) by 15N labeling experiments. 相似文献
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Süleymanoğlu N. Ustabaş R. Ünver Y. Alpaslan Y. B. 《Russian Journal of Organic Chemistry》2019,55(12):1929-1935
Russian Journal of Organic Chemistry - 5-Methyl-4-(3-(2-oxopyrrolidin-1-yl)propyl)-2,4-dihydro-3H-1,2,4-triazol-3-one was synthesized and characterized by X-ray, FTIR and NMR spectroscopic... 相似文献
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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. 相似文献
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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. 相似文献
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A series of 3-(3-alkyl-5-thioxo-1H-4,5-dihydro-1,2,4-triazol-4-yl)aminocarbonylchromones has been prepared by oxidation of 3-formylchromone with Jones' reagent followed by reaction with 3-alkyl-4-amino-4,5-dihydro-1,2,4-triazole-5(1H)-thione in the presence of POCl3. The structures of the compounds were confirmed by IR, LC-MS, and 1H NMR spectra and elemental analyses. 相似文献
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Frédérique Malbec René Milcent Patrick Vicart Anne Marie Bure 《Journal of heterocyclic chemistry》1984,21(6):1769-1774
Thirty new 2-substituted-4-amino-5-alkyl or aryl-2,4-dihydro-1,2,4-triazol-3-ones and ten 2-substituted-5-alkyl or aryl-4-(5-nitro-2-furfurylidene)amino-2,4-dihydro-1,2,4-triazol-3-ones were synthesized and characterised by their sharp melting points, elemental analysis, ir and 1H nmr spectra. These new derivatives of 5-nitro-2-furaldehyde were screened for their antibacterial activities. Most of the compounds showed good activity against one test organism, Staphylococcus aureus. For a few compounds, C.M.I. ranged from 4 to 8 μg/ml (higher results than nitrofurantoin). 相似文献
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Avetisyan A. A. Aleksanyan I. L. Pivazyan A. A. 《Russian Journal of Organic Chemistry》2003,39(8):1164-1166
From 4-hydroxy-2-methylquinoline-3-propionyl chlorides hydrochlorides the corresponding thiosemicarbazides were synthesized. The cyclization of the latter both in alkaline and acidic media furnished 4-hydroxy-2-methyl-3-[2-(5-mercapto-1H-1,2,4-triazol-3-yl)ethyl]quinolines. The reaction of the above propionyl chlorides with anthranilic acid afforded the corresponding 2-[2-(4-hydroxy-2-methyl-3-quinolyl)ethyl]-4H-3,1-benzoxazin-4-ones. 相似文献
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The structural and conformational features of 4-(2-phenylethyl)-5-(2-furyl)-2, 4-dihydro-3H-1,2,4-triazole-3-thione (1a), which can be related to the biological activity, have been investigated by X-ray diffraction and molecular modeling techniques.
Ab initio method (RHF/6-31G) and density functional theory (B3LYP/6-31G(D)) have been used to calculate structural parameters,
conformations, and relative energy of two tautomeric specious (1a and 1b) of the title compound. The geometry and the conformation of the thione form, 1a, is well reproduced by the DFT (B3LYP/6-31G(D)) method as compared with X-ray structure in which this form is found. The
thione form is also predicted to be 14.42 kcal/mol more stable than the thiol form in the gas-phase by the DFT method. 相似文献
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James R. Beck George E. Babbitt Michael P. Lynch 《Journal of heterocyclic chemistry》1988,25(5):1467-1470
Alkylation of 1-aryl-1H-1,2,4-triazol-3-ols with ethyl 2-bromopropionate under basic conditions resulted in the formation of 2-[(1-aryl-1H-1,2,4-triazol-3-yl)oxy]propionic acid, ethyl esters. No N-alkylated products were detected. Similar alkylation of 2-oxo-5-phenyl-1,3,4-thiazole and the corresponding 1,3,4-oxadiazole gave only N-alkylated derivatives. With 4-hydroxy-6-phenylpyrimidine and 2-oxo-4-phenylthiazole, both O- and N-alkylation occurred. Structure assignments were based on ir and 13C nmr spectral data. 相似文献
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V. M. Chernyshev A. V. Chernysheva V. A. Taranushich 《Russian Journal of Applied Chemistry》2009,82(2):276-281
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. 相似文献
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The inelastic neutron scattering (INS) spectra of β-5-Nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (β-NTO) are presented to 1400 cm−1. The β-NTO vibrational frequencies observed differ considerably from the -NTO vibrational frequencies and normal mode frequency calculations for the isolated molecule. The INS spectrum contains detail unobserved in the previous IR studies, including combinations and overtones of the phonon and internal modes of β-NTO. The INS spectra are compared with periodic DFT calculations to show that the periodic DFT results correctly predict the solid-state molecular vibrational frequencies. 相似文献
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This work described a one-pot tandem three-component synthesis of 2,4,5-triaryl-2,4-dihydro-3H- 1,2,4-triazol-3-ones using a simple reaction between phenylhydrazines, benzaldehydes and phenyl isocyanates under microwave irradiation and solvent-free conditions in good to excellent yields. 相似文献
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Treatment of various substituted semicarbazones of aromatic aldehydes with sulfur monochloride yields the corresponding substituted 2,4-dihydro-1,2,4-triazol-3-ones. With thiosemicarbazones, the products are derivatives either of the 2-amino-1,3,4 thiadiazole or of the 2,4-dihydro-1,2,4-triazole-3-thione depending on the experimental conditions. 相似文献
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T. V. Shokol V. A. Turov A. V. Turov N. V. Krivokhizha V. V. Semenyuchenko V. P. Khilya 《Chemistry of Heterocyclic Compounds》2005,41(11):1411-1418
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.
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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 11, pp. 1676–1684, November, 2005. 相似文献