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1.
The structures of the title compounds have been established by X-ray crystallography from diffractometer data. Crystals of the first (I), C4H8N4S, are monoclinic, space group P21/c, with a = 8.166(2), b = 10.481(1), c = 8.585(1) Å, β = 109.33(2)°, Z = 4, Dc = 1.381 g cm−3. Crystals of the second (II), C9H10N4S, are monoclinic, space group P21/c, with a = 11.850(4), b = 7.898(1), c = 23.981 (6) Å, β = 117.23(2)°, Z = 8, Dc = 1.373 g cm−3. Crystals of the third (III), C11H14N4S1 are also monoclinic, space group P21/c with a = 12.829(3), b = 8.348(1), c = 11.088(4) Å, β = 94.40(4)°, Z = 4, Dc = 1.314 g cm−3. The structures, determined by direct methods (I, III) and Patterson synthesis (II) were refined to R = 0.039 for 1070 reflections of I, R = 0.040 for 2792 reflections of II and R = 0.041 for 1900 reflections of III. The characteristic features of the planar five-membered rings are studied in comparison with the analogous 1,2,3-triazoles and imidazoles. It is shown that these planar rings exhibit only two patterns of the endocyclic bond angles induced dominantly by the number and relative position of the N-lone pairs. A similar effect of the double bonds (attached to C atoms) is also discussed. 相似文献
2.
A solid-phase synthesis of 3-amino-1,2,4-triazoles is described. Reaction of resin bound S-methylisothiourea 2 with carboxylic acids yielded resin-bound S-methyl-N-acylisothioureas 3, which reacted with hydrazines under mild conditions to afford the corresponding resin-bound 3-amino-1,2,4-triazoles 4 with regioselectivity. Following cleavage, the desired products 5 were obtained in good yields and purities. 相似文献
3.
V. N. Britsun A. N. Borisevich L. S. Samoilenko A. N. Chernega M. O. Lozinskii 《Russian Journal of Organic Chemistry》2006,42(10):1516-1520
Reactions of 3-oxo-N-phenylbutanethioamide with 3-substituted 5-amino-1H-1,2,4-triazoles in acetic acid led to the formation of 5-methyl-7,8-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-7-thiones, 7-methyl-5,8-dihydrol[1,2,4]triazolo[1,5-a]pyrimidine-5-thiones and 7-methyl-5-phenylamino[1,2,4]triazolo[1,5-a]pyrimidines. The structure of the products was proved by the 1H and 13C NMR spectra, X-ray diffraction data, and chemical transformations. 相似文献
4.
Journal of Structural Chemistry - 相似文献
5.
V. M. Chernyshev E. V. Tarasova A. V. Chernysheva V. A. Taranushich 《Russian Journal of Applied Chemistry》2011,84(11):1890-1896
Effect of the molar ratio between reagents, temperature, and synthesis duration on the yield of 3-pyridylsubstituted 5-amino-1,2,4-triazoles
in the reaction of aminoguanidine hydrochloride with pyridinecarboxylic acids under acid catalysis conditions was studied.
A single-reactor method for synthesis of 3-pyridyl-substituted 5-amino-1,2,4-triazoles and their hydrochlorides was developed. 相似文献
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7.
酰氨基硫脲是一类重要的有机合成中间体[1-3]。其最终产物大都有消炎、镇痛、抗菌、杀虫、除草、调节植物生长等生理活性。本文以苯乙酸乙酯与芳胺为基本原料,经多步反应,制得1 苯乙酰基 4 芳基氨基硫脲,研究了它们在水合肼存在下的关环反应,合成了3 苄基 4 氨基 5 芳胺基 1,2,4 三唑,其结构经元素分析、红外光谱、核磁共振氢谱、碳谱表征。1 实验部分1 1 仪器与试剂XT4A型显微熔点仪(温度计未校正);CE公司(意大利)Flash1112型自动元素分析仪;Bruker公司(德国)Equinox55型红外分光光度计,KBr压片;Bruk… 相似文献
8.
V. V. Lipson T. M. Karnozhitskaya S. V. Shishkina O. V. Shishkin A. V. Turov 《Russian Chemical Bulletin》2009,58(7):1441-1444
The reaction of 3-amino- and 3-amino-5-methylthio-1,2,4-triazoles with cinnamaldehyde takes two directions to form mixtures
of 5-[N-(3-phenylpropenylideneamino)]-1H-1,2,4-triazoles and 5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-7-ols. 相似文献
9.
V. Ya. Alekseeva Yu. A. Boitkov I. V. Viktorovskii K. A. V'yunov 《Chemistry of Heterocyclic Compounds》1986,22(11):1258-1261
2-Amino-5-R-phenyl-1,3,4-oxadiazoles have been shown to isomerize in alcoholic potassium hydroxide solution to 3-R-phenyl-5-alkoxy-1,2,4-triazoles. The dissociative ionization of 3-R-phenyl-5-alkoxy-1,2,4-triazoles and 3-R-phenyl-1,2,4-triazolin-5-ones has been examined. The mass spectra of the oxadiazoles have been compared with those of the triazoles.Translated from Khimiya Geterotslklicheskikh Soedinenii, No. 11, pp. 1553–1556, November, 1986. 相似文献
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11.
A. T. Lebedev V. E. Shevchenko A. G. Kazaryan V. A. Bakulev Yu. M. Shafran M. Yu. Kolobov V. S. Petrosyan 《Chemistry of Heterocyclic Compounds》1987,23(5):566-573
The behavior of the isomeric 5-amino-1,2,3-thiadiazoles and 5-mercapto-1,2,3-triazoles under electron impact was studied. It was shown that mass spectrometry can serve as a rapid and reliable method for the identification of these compounds. Key factors in the assignment of a compound to one or the other class are the peaks of the [M-N2]+ ions, which are more intense in the case of the thiadiazoles, and the ions determined by the decomposition of the prototropic forms of the triazoles. The compositions of the ions were determined by the high-resolution mass spectra.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 5, pp. 681–689, May, 1987. 相似文献
12.
M. A. Prezent E. D. Daeva S. V. Baranin V. A. Dorokhov 《Russian Chemical Bulletin》2015,64(5):1089-1092
Nickel(II) acetylacetonate for the first time was shown to efficiently catalyze the addition of Boc-protected amino acid hydrazides to the nitrile group of benzoylcyanamide with the formation of the corresponding 3-benzoylamino-substituted 1,2,4-triazoles with the Boc-aminoalkyl group at position 5. A further modification of the latter led, depending on the conditions, to mono- or dihydrochlorides of 1,2,4-triazole-derived amines. 相似文献
13.
The crystal structure of 1-[(1'-phenyl-5'-methyl-4'-pyrazolcarbonyl)]-3-methyl thio-5-amino-1H-yl-1,2,4-triazole (C14H14N6OS, Mr = 314.37) has been determined by single-crystal X-ray diffraction analysis. The crystal belongs to triclinic, space group P with a = 8.026(3), b = 8.651(4), c = 11.369(5) (A), α = 89.917(7), β= 89.084(7), γ = 68.470(6)°, V = 734.2(5) (A)3, Z = 2, Dc = 1.422 g/cm3, ( = 0.232 mm-1, F(000) = 328, R = 0.0376 and wR = 0.0890 for 2950 unique reflections. The crystal structure shows the presence of a dimmer with intermolecular N(4)-H(4)…N(3A) hydrogen bonds. 相似文献
14.
The reaction of 1,1,1-trichloro-3,3,3-trifluoroacetone with S-methyl-2-arylisothiosemicarbazides affords an unusual synthesis of 1-aryl-3-trifluoromethyl-5-methylthio-1,2,4-triazoles from which 1-aryl-3-trifluoromethyl-1,2,4(4H)-triazole-5-ones are obtained on treatment with base. 相似文献
15.
Anton V. Dolzhenko Giorgia Pastorin Anna V. Dolzhenko Wai Keung Chui 《Tetrahedron letters》2009,50(18):2124-2774
A catalyst-free highly efficient synthesis of 3(5)-amino-5(3)-(het)aryl-1,2,4-triazoles in aqueous medium was performed using conventional heating and microwave irradiation. The tautomerism in the products was investigated using NMR spectroscopy and X-ray crystallography. The effects of the substitution, temperature, solvents, and concentration on the tautomerism were studied. The triazoles were found to exist in 1H-forms, the 4H-form was not observed either in solid state or in solution. In general, 5-amino-1,2,4-triazoles were electronically preferred in the tautomeric equilibrium, but some exceptions from the established relationship were also identified. 相似文献
16.
B. Tashkhodjave K. K. Turgunov A. G. Tojiboev U. S. Makhmudov T. F. Ibragimov V. A. Saprykina Kh. M. Shakhidoyatov 《Journal of inclusion phenomena and macrocyclic chemistry》2008,61(1-2):71-76
A polymorphs, crystallohydrate and crystallosolvates of N-(3-methylthio-1,2,4-thiadiazol-5-yl-aminocarbonylmethyl)cytisine, C16H19N5O2S2, with chloroform, methanol, benzene have been obtained and crystal structures have been determined by the method of single crystal X-ray diffraction. In the investigated crystals N-(3-methylthio-1,2,4-thiadiazol-5-yl-aminocarbonylmethyl)cytisine have taken four types of conformation due to intra-molecular rotations around N–C and C–C bonds. So free rotations in the molecule assisted in formation a different crystallosolvates and polymorphs depending on nature of solvents. The thermal decomposition of the hydrate and methanol solvated crystals was studied by means of a TG-DSC. 相似文献
17.
The isomeric and tautomeric structure of I and II type monoacylated 5-amino-1,2,4-triazole derivatives was studied with the help of their ir, uv, pmr and cmr spectra as well as model compounds prepared for this purpose. It was stated that the structure of the I type ring-acylated derivatives is 2o and those of their II type isomers is 5a . 相似文献
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19.
A continuing search for new nitrofurans which might possess useful antimicrobial activity led to the synthesis of several 3-mercapto-5-(5-nitro-2-furanyl)-1H-1,2,4-triazoles and their methylated derivatives. This paper describes the preparation of these compounds together with proof of structure of the N-methylated products. 相似文献
20.
The alkylation of 3-R′-thio-5-amino-1H-1,2,4-triazoles 1 or their sodium salt with alkyl and aralkyl halides 2 , respectively, to yield all the four possible monoalkylated derivatives 3, 4, 5 and 6 was studied. The comparison of the spectral data of different type isomers 3, 4, 5 and 6 isolated and their Schiff bases 8, 9 and 10, respectively, was unequivocal evidence in support of their structure which was then further supported by independent synthesis and ring closure reactions. According to an hplc study the main product of the alkylation is derivative 3 , the by-product is derivative 4 , while derivatives 5 and 6 are formed only in insignificant amounts. 相似文献