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CAS No. : | 154403-27-7 | MDL No. : | N/A |
Formula : | C18H21N9 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | DGBHCVCPUCYWEM-UHFFFAOYSA-N |
M.W : | 363.42 | Pubchem ID : | 382077 |
Synonyms : |
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Signal Word: | Warning | Class: | |
Precautionary Statements: | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 | UN#: | |
Hazard Statements: | H315-H319 | Packing Group: | |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
98.7% | With N-ethyl-N,N-diisopropylamine In tetrahydrofuran for 23h; Inert atmosphere; Reflux; | |
83% | Stage #1: 3,5-dimethyl-1H-pyrazole With sodium hydride In tetrahydrofuran at 20℃; for 1h; Stage #2: 1,3,5-trichloro-2,4,6-triazine In tetrahydrofuran at 70℃; for 5h; | 4.8.6 2,4,6-tri(1H-pyrazol-1-yl)methyl)-1,3,5-triazine (4f) General procedure: A solution of pyrazole (2.04g, 0.03mol) in freshly distilled THF (20mL) was added to a stirred suspension of sodium hydride (60%, 2.04g, 0.03mol) in 20mL THF at room temperature. After 1h, Cyanuric chloride (1.85g, 0.01mol) in THF (15mL) was added to the above solution and white precipitate was formed. After being stirred and heating at 70°C for 5h, the solution was filtered off, the filtrate evaporated on a steam bath, and then washed with hot-water. 2,4,6-tri(1H-pyrazol-1-yl)methyl)-1,3,5-triazine. |
57.9% | In ISOPROPYLAMIDE at 20 - 80℃; | 4.4.1 18.4 g of cyanuric chloride was dissolved in 100 mL of dimethylacetamide, and 69.2 g of 3,5-dimethylpyrazole was added thereto at room temperature. The solution was allowed to react at a reaction temperature of 80° C. for two hours.After cooling, the reaction solution was poured into water, and the precipitated crystal was filtered, and then recrystallized from dimethylformamide. Amount of the product: 21.0 g, Yield: 57.9%. NMR spectrum data (heavy chloroform): 6.11 (3H, s), 2.81 (9H, s), 2.33 (9H, s) |
30% | Stage #1: 3,5-dimethyl-1H-pyrazole With sodium hydride In tetrahydrofuran at 20℃; for 2h; Stage #2: 1,3,5-trichloro-2,4,6-triazine In tetrahydrofuran at 20℃; | |
29.4% | Stage #1: 3,5-dimethyl-1H-pyrazole With sodium hydride In tetrahydrofuran for 1h; Heating; Stage #2: 1,3,5-trichloro-2,4,6-triazine In tetrahydrofuran | |
With potassium In diethylene glycol dimethyl ether for 3h; Ambient temperature; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
65% | In tetrahydrofuran under N2 atm. to soln. Me2-TpzT in THF was added Pd(C6F5)2(cod) and stirred for 2 h at room temp.; soln. was concd., hexane was added, ppt. was filtered and washed with hexane; elem. anal.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
57% | In acetone under N2 atm. to soln. Me2-TpzT in acetone was added Pd(C6ClF4)2(cod) and stirred for 2 h; soln. was evapd. to dryness, residue was washed with pentane and recrystd. from CH2Cl2/hexane; elem. anal.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
80% | In benzene (N2); reflux (4 h); concn., pptn. with light petroleum, decantation, drying (vac.), recrystn. (CH2Cl2/hexane); elem. anal.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
76% | In benzene (N2); reflux (4 h); concn., pptn. with light petroleum, decantation, drying (vac.), recrystn. (CH2Cl2/hexane); elem. anal.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
73% | In benzene (N2); reflux (4 h); concn., pptn. with light petroleum, decantation, drying (vac.), recrystn. (CH2Cl2/hexane); elem. anal.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
56.8% | With 1,8-diazabicyclo[5.4.0]undec-7-ene In dimethyl sulfoxide at 70℃; for 1h; | 4.4.2 3.93 g of 5,6-dichloro-1,2-dimethyl-3-ethyl-1H-benzimidazolium trifluoromethanesulfonate was dissolved in 50 mL of dimethylsulfoxide; and then 3.63 g of the 2,4,6-tris(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine prepared in the above (4-1) was added thereto. 3 mL of 1,8-diazabicyclo[5.4.0]-7-undecene was added to the mixture, and the solution was allowed to react at 70° C. for 1 hour. After cooling, water was added to the reaction solution, and the precipitated crystal was filtered. The crystal was purified by silica gel column chromatography, the crystal obtained was dissolved in dimethylformamide, and the solution was precipitated by addition of ethyl acetate. The crystal was filtered under reduced pressure, washed with a mixed solvent of hexane and ethyl acetate, and dried, to give a desired product. Amount of the product: 2.9 g, Yield: 56.8%.NMR spectrum data (heavy chloroform): 7.30 (1H, s), 7.20 (1H, s), 6.01 (2H, s), 5.22 (1H, s), 4.11 (2H, q), 3.83 (3H, s), 2.67 (6H, s), 2.33 (6H, s), 1.34 (3H, t) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
55.7% | With 1,1,3,3-tetramethylguanidine In dimethyl sulfoxide at 80℃; for 0.5h; | 5.5.1 419 mg of 6-chloro-5-cyano-1,3-diethyl-2-methyl-1H-benzimidazolium p-toluene sulfonate and 363 mg of the 2,4,6-tris(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine prepared in (4-1) of Example 4 were suspended in 8 mL of dimethylsulfoxide; 0.5 mL of tetramethylguanidine was added; and the mixture was allowed to react at 80° C. for 30 minutes.After cooling, water was added to the reaction solution, and the precipitated crystal was filtered under reduced pressure. The crystal obtained was purified by silica gel column chromatography. The crystal was recrystallized from a mixed solvent of methanol and ethyl acetate, to give a desired product.Amount of the product: 287 mg, Yield: 55.7%.NMR spectrum data (heavy chloroform): 7.34 (1H, s), 7.21 (1H, s), 6.04 (2H, s), 5.31 (1H, s), 4.53 (2H; q), 4.39 (2H, q), 2.70 (6H, s), 2.33 (6H, s), 1.31 (3H, t), 1.28 (3H, t) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
85% | In acetone (N2); soln. of ligand (2 equiv.) in acetone was added to soln. of Cu salt (1 equiv.) in acetone; stirred for 16 h; evapd.; washed (cold Et2O); elem. anal.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
76% | In chloroform HgBr2 and ligand (1:1 mol) stirred in CHCl3 at room temp. for 24 h; filtered; elem. anal.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
80% | In chloroform HgCl2 and ligand (1:1 mol) stirred in CHCl3 at room temp. for 24 h; filtered; elem. anal.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
65% | In methanol at 20℃; for 4h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
40% | In ethanol at 20 - 120℃; for 75h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
78% | In ethanol at 20℃; for 3h; | Complex [Cu2(Bpz*T-O)4]4pz*4H2O (3): The synthesized method of complex 3 was similar to that of complex 2, CuCl2*2H2O (0.017 g, 0.1 mmol), Bpz*T (0.072 g, 0.2 mmol) were dissolved in ethanol-water (2:1) mixed solution, stirred at room temperature for 3 h, The precipitate was separated by filtration, the blue filtrate was placed at room temperature for several days and the blue crystals were obtained. Yield: 0.068 g, 78% (Based on Cu(II)). Elemental Anal. Calc. for C72H92N36O8Cu2: C, 50.37; H, 5.84; N, 29.37. Found:C, 50.39; H, 5.86; N, 29.33%. IR (KBr, ν, cm-1): 3261 (νACAH), 2972,2922 (νACH3), 1623 (νCO), 1563, 1416, 1272 (νCC/νCN), 1137,1031 (νNN), 485 (νCuN). UV-Vis (λmax, nm): 266, 286 (p-p),348 (LMCT), 712 (d-d*). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
76% | at 20℃; for 3h; | Complex [Cu2(Bpz*T-OEt)2Cl2CuCl4] (2): CuCl2*2H2O (0.034 g,0.2 mmol), Bpz*T(0.054 g, 0.15 mmol), were dissolved in anhydrous ethanol (15 mL), stirred at room temperature for 3 h, mixed solution was separated by filtration, the green filtrate was stored at room temperature for several days and green precipitate was obtained. Then, the precipitate was dissolved in CH2Cl2. After two days, green crystals suitable for X-ray diffraction were obtained. Yield: 0.052 g, 76% (Based on Cu(II)). Elemental Anal. Calc. for C30H42N14O2Cl6Cu3: C, 34.85, H, 4.09, N, 18.96. Found: C, 34.69; H,4.12; N, 18.87%. IR (KBr, cm-1, ν): 3275 (νACAH), 2980, 2933 (νACH3),1570, 1410, 1322 (νCC/νCN), 1130, 995(νNN), 477 (νCuN). UV-Vis (λmax, nm): 262, 290 (p-p), 420 (LMCT), 792 (d-d*). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
74% | at 80℃; for 3h; | Preparation of complex 1 L1 (0.048 g, 0.1 mmol), CuCl2·2H2O (0.034 g, 0.2 mmol) and KSCN (0.048 g, 0.5 mmol) were dissolved in anhydrous ethanol (15 ml). The solution was stirred under reflux at 80 °C for 3 h, and then the mixture was cooled down and filtered. The solution was stored at room temperature to be evaporated slowly. After a few days, some green crystals of complex 1 were obtained, filtered off and dried in air. The yield was 74% (based on Cu(II)). Calc. for C13H17N6O2SCu: C, 40.56; H, 4.45; N, 21.83. Found: C, 40.17; H, 4.36; N, 21.36%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
37% | Stage #1: copper(II) choride dihydrate; 2,4,6-tris(3,5-dimethyl-pyrazol-1-yl)-1,3,5-triazine In acetone for 1h; Stage #2: acetonitrile | [Cu(L1)(m-Cl)2CuCl2]H2O.CH3CN}n (3) CuCl22H2O (0.0170 g,0.1 mmol) and L1 (0.0360 g, 0.1 mmol) in acetone (10 mL) weremixed in a 25mL conical flask, stirring for 1 h, the colorless solutionwas obtained. At room temperature, the static evaporation for three days, the green powder was dissolved in CH3CN (10 mL), somegreen block crystals suitable for X-ray diffraction analysis wereobtained. Yield: 37% (based on Cu (II)). Calc. for C20H26Cl4N10OCu2:C, 34.67; H, 4.08; N, 20.30; Found: C, 34.74; H, 3.97; N, 20.26. IR(KBr, cm-1): 3440, 3043, 2922, 2852, 1631, 1524, 1479, 1416, 1059,800. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
32% | for 1h; | [Cd(L1)(NO3)2(H2O)] (1) General procedure: Cd(NO3)24H2O (0.0310 g, 0.1 mmol)and L1 (0.0360 g, 0.1 mmol) were mixed in a 25 mL conical flaskwith acetone (10 mL) as a solvent, to stir for 1 h, to obtain a colorlesssolution. Then at room temperature, the static evaporation for oneweek, some colorless crystals suitable for X-ray diffraction analysiswere obtained. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
40% | In acetone for 1h; | [Cd(L1)(NO3)2(H2O)] (1) Cd(NO3)24H2O (0.0310 g, 0.1 mmol)and L1 (0.0360 g, 0.1 mmol) were mixed in a 25 mL conical flaskwith acetone (10 mL) as a solvent, to stir for 1 h, to obtain a colorlesssolution. Then at room temperature, the static evaporation for oneweek, some colorless crystals suitable for X-ray diffraction analysiswere obtained. Yield: 40% (based on Cd (II)). Calc. forC18H23N11O7Cd: C, 35.06; H, 3.70; N, 24.99; Found: C, 34.99; H, 3.75;N, 24.94. IR (KBr, cm-1): 3410, 3040, 2990, 2930, 1603, 1532, 1472,1401, 1040, 811. |