- Novel compounds of 4-amino-1,2,4-triazole with dicarboxylic acids - crystal structures, vibrational spectra and non-linear optical properties
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Three novel 4-amino-1,2,4-triazole compounds with oxalic, succinic and adipic acids have been prepared and X-ray structural analysis has been carried out. The organic salt 4-amino-1,2,4-triazol-1-ium hydrogen oxalate crystallizes in the monoclinic space group P21, a = 3.7280(2), b = 18.349(1), c = 4.9680(4) ?, β = 101.134(5)°, V = 333.44(4) ?3, Z = 2, R = 0.0284 for 1328 observed reflections. The crystal structure consists of periodically alternating layers (parallel to a axis) formed by chains of hydrogen oxalate anions connected by strong O-H?O hydrogen bonds. The layers are interconnected by 4-amino-1,2,4-triazol-1-ium cations via N-H?O hydrogen bonds. The addition compound 4-amino-1,2,4-triazole-succinic acid (1:1) crystallizes in the monoclinic space group P21/c, a = 11.8130(5), b = 5.0690(3), c = 16.5280(5) ?, β = 117.285(3)°, V = 879.58(7) ?3, Z = 4, R = 0.0352 for 1701 observed reflections. The crystal structure is formed by zig-zag chains (parallel to b axis) of 4-amino-1,2,4-triazole molecules, connected by N-H?N hydrogen bonds, and isolated molecules of succinic acid which interconnect these chains by O-H?N and N-H?O hydrogen bonds. The addition compound 4-amino-1,2,4-triazole-adipic acid (2:1) crystallizes in the monoclinic space group P21/c, a = 6.3610(3), b = 8.0580(2), c = 14.8750(5) ?, β = 104.072(2)°, V = 739.57(5) ?3, Z = 2, R = 0.0487 for 1793 observed reflections. The crystal structure consists of pairs of parallel linear chains (mediated by N-H?N hydrogen bonds) of 4-amino-1,2,4-triazole molecules that are interconnected by isolated adipic acid molecules via O-H?N and N-H?O hydrogen bonds. Neighbouring chains, which are parallel to a axis, do not exhibit any H-bond contact between each other. The FTIR and FT Raman spectra of all three compounds were recorded, calculated and discussed. Quantitative measurements of second harmonic generation of powdered 4-amino-1,2,4-triazol-1-ium hydrogen oxalate at 800 nm were performed and a relative efficiency of 38% (compared to KDP) was observed.
- Matulková, Irena,Němec, Ivan,Teubner, Karel,Němec, Petr,Mi?ka, Zdeněk
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- Method for synthesizing azaconazole through 4-amino-4H-1,2,4-triazole alkylation
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The invention discloses a method for synthesizing azaconazole through 4-amino-4H-1,2,4-triazole alkylation. The method comprises step 1, preparing a raw material which is shown in a following image; step 2, synthesizing 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazole-1-yl) ethanone; step 3, synthesizing azaconazole. The method disclosed by the invention has the advantages that development of a novel azaconazole bactericide successfully fills the blank in China, synthesis researches of similar derivatives based on the azaconazole bactericide will be in the ascendant, and successful development andindustrial implementation of varieties of novel bactericides have a far-reaching influence on national economy development. The method disclosed by the invention is an azaconazole synthesizing method.
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Paragraph 0054
(2018/11/03)
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- Synthesis method of azaconazole intermediate
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The invention discloses a synthesis method of an azaconazole intermediate. The synthesis method mainly comprises a synthesis method of 2,4-dichloroacetophenone, a synthesis method of 2-bromo-1-(2,4-dichlorophenyl) ethyl ketone, and a synthesis method of ketal. The preparation method has the advantages that the development of the novel azaconazole bactericide fills up a domestic blank in the field,similar derivative synthesis research based on the synthesis method is in the ascendant, and successful development and industrial implementation of various novel bactericides can be realized. The invention provides a novel azaconazole synthesis method.
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Paragraph 0057
(2019/01/04)
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- Dinuclear complexes with a triple N1,N2-triazole bridge that exhibit partial spin crossover and weak antiferromagnetic interactions
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The reaction of 4-phenylimino-1,2,4-triazole (1) with FeII, CoII, NiII and CuII thiocyanate produces a series of analogous dinuclear compounds of formula [M2 (1)5 (NCS)4] (2-5) as demonstrated by single-crystal X-ray diffraction studies of the FeII (2) and CoII (3) analogues. The magnetic properties of [Fe2(1)5(NCS)4]·xMeOH (x = 3.5-5) reveal a partial and gradual spin crossover (SCO) centred at TSCO = 115 K. This is confirmed by its crystal structure solved at 100, 150 and 250 K, which exhibits a gradual decrease of the Fe-N bond lengths with temperature. However, the bulk hydrated form of 2 that is generated upon exposure to air of crystals is a high-spin compound that exhibits weak antiferromagnetic interaction. The exchange coupling among the FeII S = 2 ions within the dinuclear neutral complex was evaluated as J/kB = -1.33(3) K by using the Heisenberg Hamiltonian H = -2JS1·S2. Similarly, the magnetic properties of the NiII (4) and CuII (5) analogues are dominated by moderate and weak antiferromagnetic interactions evaluated as J/kB = -13.9(3) and -0.30(5) K, respectively. The presence of strong spin-orbit coupling of the individual CoII ions impeded the evaluation of the likely antiferromagnetic interaction that leads to a singlet ground state in 3. The reported structures of 2 and 3 are new additions to a very scarce family of dinuclear complexes bearing a unique triple N1,N2-triazole bridge. Owing to its relevance in the peculiar properties of 1D triazolebased SCO materials, which are widely studied for their various potential applications, a structural analysis of this triple N1,N2-triazole bridge in reported structures of FeII and CoII trinuclear and 1D compounds is provided.
- Roubeau, Olivier,Gamez, Patrick,Teat, Simon J.
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p. 934 - 942
(2013/06/26)
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- Syntheses, crystal structures, and photoluminescence properties of three bis-acylamide compounds
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Three bis-acylamide compounds, N1,N4-bis(pyridin-4- yl)-cyclohexane-1, 4-dicarboxamide (L1), 1, 1′-(1, 3-phenylenedicarbonyl-) bis(1H-1, 2, 3-benzotriazole) (L2), and N1,N4-bis(1H-1, 2, 4-triazole) phthalamide (L3) were synthesized. L1, L2, and a CuII complex based on L3 formulated as CuCl2(L3)2(en) 2 (1) (en = ethylenediamine) were structurally characterized by single-crystal X-ray diffraction for the first time. L1, L2, and L3 exhibit different photoluminescence properties. Copyright
- Wu, Tao,Gong, Yun,Qin, Jianbo,Wu, Xiaoxia,Cao, Rong
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scheme or table
p. 438 - 442
(2012/05/05)
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- Process for the synthesis of 4-amino-4H-1,2,4-triazole
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An improved process for synthesizing 4-amino-1,2,4-triazole. Hydrazine hydrate solution is mixed into ethyl formate, ethanol, and an acidic ion exchange resin in a condenser. The solution is held at 75 degrees Celsius until no more liquid exits the condenser. The solution is then heated to between 130 and 133 degrees Celsius and kept at this temperature long enough to remove water and ethanol and to complete the synthesis. The solution is then cooled to 60 degrees Celsius and filtered to remove the ion-exchange resin. The filtered liquid is then cooled to ambient temperature.
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Page/Page column 1-2
(2008/06/13)
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- Tautomerism in the solid state and in solution of a series of 6-aminofulvene-1-aldimines
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To study systems able to sustain intramolecular proton-transfer, we have prepared a series of six aminofulvene aldimines including several labeled with 15N and 2H. These compounds show coupling constants through the hydrogen bond, 1hJ(15N-1H) and 2hJ(15N-15N). The position of the tautomeric equilibria, i.e., on what nitrogen atom is the proton, was determined in the solid state and in solution. The crystal structure of N{([5-[(phenylamino)methylene]- 1,3-cyclopentadien-1-yl]methylene})pyrrole-1-amine (3) has been determined by X-ray analysis. In solution, both N-H and C-H tautomers were observed and their structures assigned by NMR spectroscopy. Particularly useful is the value of the 1J(15N-1H) coupling constant.
- Sanz, Dionisia,Perez-Torralba, Marta,Alarcon, Sergio Hugo,Claramunt, Rosa Maria,Foces-Foces, Concepcion,Elguero, Jose
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p. 1462 - 1471
(2007/10/03)
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- Triazolylated teritiary amine compound or salt thereof
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A triazolylated tertiary amine compound represented by general formula (I) or a salt thereof, having an aromatase inhibitory activity and being useful for preventing and treating breast cancer, mastopathy, endometriosis, prostatomergaly, etc., wherein A represents a single bond, lower alkylene or carbonyl; B represents lower alkyl, aryl, a 5- or 6-membered heterocyclic group, or a bicyclic fused heterocyclic group; D represents aryl, a 5- or 6-membered heterocyclic group, or a bicyclic fused heterocyclic group; and E represents 4H-1,2,4-triazolyl, 1H-1,2,4-triazolyl or 1H-1,2,3-triazolyl.
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- Process for the synthesis of 4-amino-1,2,4-(4h)triazole derivatives
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A process for preparing a 4-amino-1,2,4-(4H)triazole derivative compositions having the formula STR1 wherein R is hydrogen or an alkyl group containing from 1 to about 10 carbon atoms, which alkyl group can be additionally substituted by one or more aryl, heteroaryl, hydroxy, or alkenyl substituents, comprising the step of reacting hydrazine or an aqueous hydrazine solution with a carboxylic acid having the formula RCO2 H in the presence of an insoluble polymer containing acidic functional groups sufficiently strong to cause the reaction to proceed under mild conditions to produce a product of high yield and purity.
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- Some triazole analogs as anti-inflammatory agents.
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4-[4-(3-Substituted-1-acetyloxycarbamido)-benzylidene] amino-1.2.4-triazoles were synthesized and evaluated for anti-inflammatory activity against carrageenin-induced foot paw edema in albino rats. All compounds, with the exception of one, afforded anti-inflammatory activity. Approximate LD50 of all the substituted triazoles was found to be higher than 750 mg/kg. Substitution at the phenyl group attached to N at the position 3 of the carbamide, in general, resulted in increase of anti-edema effect.
- Gupta,Bhargava
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p. 430 - 431
(2007/10/04)
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