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Product Details of [ 63400-46-4 ]

CAS No. :63400-46-4 MDL No. :
Formula : C10H16N6 Boiling Point : -
Linear Structure Formula :C2N3H2(CH2)6C2N3H2 InChI Key :WUGSMDPWLKEWMU-UHFFFAOYSA-N
M.W : 220.27 Pubchem ID :85896920
Synonyms :

Safety of [ 63400-46-4 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 63400-46-4 ]

* 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.

  • Downstream synthetic route of [ 63400-46-4 ]

[ 63400-46-4 ] Synthesis Path-Downstream   1~33

  • 1
  • zinc(II) perchlorate [ No CAS ]
  • [ 63400-46-4 ]
  • [[tris-(1,6-bis(1,2,4-triazol-1-yl)hexane) zinc(II)](perchlorate)2]n [ No CAS ]
YieldReaction ConditionsOperation in experiment
33% In water metal salt and ligand in aq. soln. in the M/L ratio of 1:3 stirred for 1h; filtered; elem. anal.;
  • 2
  • [ 63400-46-4 ]
  • [ 865-38-3 ]
  • [bis-(1,6-bis(1,2,4-triazol-1-yl)hexane) cadmium(II) (SCN)2]n [ No CAS ]
YieldReaction ConditionsOperation in experiment
54% In water metal salt and ligand in aq. soln. in the M/L ratio of 1:2 stirred for 1h; filtered; elem. anal.;
  • 3
  • cadmium(II) perchlorate [ No CAS ]
  • [ 63400-46-4 ]
  • [[tris-(1,6-bis(1,2,4-triazol-1-yl)hexane) cadmium(II)](perchlorate)2]n [ No CAS ]
YieldReaction ConditionsOperation in experiment
47% In water metal salt and ligand in aq. soln. in the M/L ratio of 1:3 stirred for 1h; filtered; elem. anal.;
  • 4
  • [ 63400-46-4 ]
  • [ 7646-85-7 ]
  • [(1,6-bis(1,2,4-triazol-1-yl)hexane) zinc(II) (chloride)2]n [ No CAS ]
YieldReaction ConditionsOperation in experiment
63% In water metal salt and ligand in aq. soln. in the M/L ratio of 1:1 stirred for 1h; filtered; elem. anal.;
  • 5
  • α-K6P2W18O62*15H2O [ No CAS ]
  • [ 63400-46-4 ]
  • copper dichloride [ No CAS ]
  • [Cu3(1,6-bis(1,2,4-triazol-1-yl)hexane)5.5(P2W18O62)]*4H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
60% With NaOH In water High Pressure; NaOH was added to aq. soln. of W compd., CuCl2 (15 equiv.) and ligand (1equiv.) to pH 4.5; suspn. was put in autoclave; heated at 160°C for 5 d; cooled to room temp.; filtered; washed (distd. H2O); elem. anal.;
  • 6
  • [ 7631-95-0 ]
  • [ 63400-46-4 ]
  • [ 6046-93-1 ]
  • [Cu(I)(1,6-bis(1,2,4-triazol-1-yl)hexane)4][β-Mo8O26] [ No CAS ]
YieldReaction ConditionsOperation in experiment
45% With (C2H5)3N; HCl In water High Pressure; mixt. of Na2MoO4*2H2O, Cu(OAc)2*H2O, 1,6-bis(1,2,4-triazol-1-yl)hexane and Et3N were dissolved in water, pH was adjusted to 3.8 with aq. 1 M HCl, sealed in autoclave, heated at 160°C for 4 d, cooled at rate of10°C/h; filtered, elem. anal.;
  • 7
  • [ 7631-95-0 ]
  • [ 63400-46-4 ]
  • [ 6046-93-1 ]
  • [Cu(II)(1,6-bis(1,2,4-triazol-1-yl)hexane)4][α-Mo8O26] [ No CAS ]
YieldReaction ConditionsOperation in experiment
42% With HCl In water High Pressure; mixt. of Na2MoO4*2H2O, Cu(OAc)2*H2O, 1,6-bis(1,2,4-triazol-1-yl)hexane was dissolved in water, pH was adjusted to 3.8 with aq. 1 M HCl, sealed in autoclave, heated at 160°C for 4 d, cooled at rate of 10°C/h; filtered, elem. anal.;
  • 8
  • [ 7631-95-0 ]
  • [ 63400-46-4 ]
  • [ 6046-93-1 ]
  • [Cu(I)(1,6-bis(1,2,4-triazol-1-yl)hexane)2][β-Mo8O26]*H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
47% With (C2H5)3N; HCl In water High Pressure; mixt. of Na2MoO4*2H2O, Cu(OAc)2*H2O, 1,6-bis(1,2,4-triazol-1-yl)hexane and Et3N were dissolved in water, pH was adjusted to 3.8 with aq. 1 M HCl, sealed in autoclave, heated at 160°C for 4 d, cooled at rate of10°C/h; filtered, elem. anal.;
  • 9
  • aqueous cadmium chloride [ No CAS ]
  • [ 63400-46-4 ]
  • [ 618-88-2 ]
  • poly[aguahemi[μ4-1,6-bis(1,2,4-triazol-1-yl)hexane](μ2,5-nitro-isophthalato)cadmium(II)] [ No CAS ]
YieldReaction ConditionsOperation in experiment
72% In water High Pressure; mixt. of CdCl2*2.5H2O, acid and 1,6-bis(1,2,4-triazol-1-yl)hexane and NaOH dissolved in water; soln. stirred for 30 min at room temp., sealed instainless steel autoclave, heated at 443 K for 3 d under autogeneous pr essure, slowly cooled to room temp.; collected by filtration, washed several times with water; dried in air at ambient temp.;
  • 10
  • [ 288-88-0 ]
  • [ 629-03-8 ]
  • [ 63400-46-4 ]
YieldReaction ConditionsOperation in experiment
Stage #1: 1,2,4-Triazole With sodium hydroxide In N,N-dimethyl-formamide at 60℃; for 1h; Stage #2: 1 ,6-dibromohexane In N,N-dimethyl-formamide at 60℃; for 2h;
  • 11
  • copper(II) acetate dihydrate [ No CAS ]
  • [ 7631-95-0 ]
  • [ 63400-46-4 ]
  • [Cu2(1,6-bis(1,2,4-triazol-1-yl)hexane)4(β-Mo8O26)]*H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
30% With HCl In water High Pressure; mixt. of Na2MoO4*2H2O, Cu acetate and triazole deriv. dissolved in waterat room temp.; pH adjusted to 4.3 with HCl; suspn. put into autoclave; kept at 160°C for 3 d, slowly cooled to room temp.; crystals filtered, washed with water; elem. anal.;
  • 12
  • copper(II) choride dihydrate [ No CAS ]
  • [ 63400-46-4 ]
  • [ 3807-81-6 ]
  • [ 7732-18-5 ]
  • [(copper(II))12(5-nitro-2-hydroxyisophthalate)8(1,6-bis(1,2,4-triazol-1-yl)hexane)4(H2O)10]*2H2O [ No CAS ]
  • 13
  • cobalt(II) chloride hexahydrate [ No CAS ]
  • dodecamolybdophosphoric acid * 13 H2O [ No CAS ]
  • [ 63400-46-4 ]
  • 2Co(2+)*H(1+)*5(C2H2N3)2C6H12*PMo12O40(5-)=Co2((C2H2N3)2C6H12)5HPMo12O40 [ No CAS ]
YieldReaction ConditionsOperation in experiment
35% With HCl In water High Pressure; CoCl2*6H2O, H3PMo12O40*13H2O and ligand (2.5:1:5) dissolved in H2O, pH adjusted to 4.5 (aq.HCl), heated in an autoclave at 160°C for 3 d; slowly cooled to room temp., elem. anal.;
  • 14
  • [ 63400-46-4 ]
  • [ 499-49-0 ]
  • [ 7732-18-5 ]
  • [ 6018-89-9 ]
  • [Ni(mip)(1,6-bis(1,2,4-triazol-1-yl)hexane)(H2O)]*(H2O) [ No CAS ]
  • 15
  • [ 63400-46-4 ]
  • phosphoric acid [ No CAS ]
  • [ 7732-18-5 ]
  • [ 5743-04-4 ]
  • [ 302-72-7 ]
  • molybdenum(VI) oxide [ No CAS ]
  • [Cd(H2O)2][Cd(H2O)([H]+1,6-bis(1,2,4-triazol-1-yl)hexane)]2[Cd0.5(H2O)(1,6-bis(1,2,4-triazol-1-yl)hexane)]2[Cd(PO4)4(HPO4)2(H2PO4)2(MoO2)12(OH)6]4H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
39% With sodium hydroxide at 160℃; for 96h; High pressure; 2.2. Syntheses of compounds 1-3 General procedure: For 3, a similar synthetic procedure to that of compound 1 wasused, except for the ligand bth (0.6 mmol) was used instead of btp.The pH was adjusted to about 2.2 with 1 M NaOH, and then orangeblock crystals of 3 were filtered and washed with distilled water(yield: 39% based on Mo). Elemental analysis (%) Calc. for C40H84-Cd5Mo12N24O72P8: C, 11.97; H, 2.11; N, 8.37. Found: C, 12.01; H,2.15; N, 8.39%. IR (KBr pellet, cm1): 3122.5(m), 2941.2(w),2862.2(w), 1018.3(s), 966.3(s), 933.5(s), 734.8(m), 715.5(m).
  • 16
  • aqueous cadmium chloride [ No CAS ]
  • [ 63400-46-4 ]
  • [ 554-95-0 ]
  • [ 7732-18-5 ]
  • Cd(2+)*C9H4O6(2-)*C10H16N6*H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
47% With sodium hydroxide at 160℃; for 72h; Autoclave; High pressure;
  • 17
  • [ 63400-46-4 ]
  • [ 554-95-0 ]
  • [ 7732-18-5 ]
  • [ 7646-85-7 ]
  • Zn(2+)*C9H4O6(2-)*C10H16N6*4H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
55% With sodium hydroxide at 160℃; for 72h; Autoclave; High pressure;
  • 18
  • cobalt(II) chloride hexahydrate [ No CAS ]
  • [ 63400-46-4 ]
  • Co(2+)*2CNS(1-)*2C10H16N6 [ No CAS ]
YieldReaction ConditionsOperation in experiment
47% In ethanol; water for 1h; Reflux;
  • 19
  • aqueous cadmium chloride [ No CAS ]
  • [ 63400-46-4 ]
  • [ 618-83-7 ]
  • [ 7732-18-5 ]
  • [Cd(5-hydroxyisophthalato)(1,6-bis(1,2,4-triazol-1-yl)hexane)2(H2O)]*H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
50% With sodium hydroxide at 170℃; for 72h; Sealed tube; A mixture containing CdCl2*2.5H2O (34.2mg,0.15mmol), 5-OH-H2BDC (27mg,0.15mmol), bth(33.0mg,0.15mmol), NaOH(6.0 mg,0.15mmol), and H2O (6ml) was sealed in a Teflon reactor, which was heated at 170 °C for 3 days, before being cooled to room temperature at 10 °C h-1. Colourless block-shaped crystals were collected in a 50% yield(basedon5-OH-H2BDC). Anal.Calc.forC18H24CdN6O7: C,39.38.;H,4.41;N,15.32. Found:C,39.16;H,4.29;N, 15.46%. IR/cm-1 (KBr): 3703(w), 3118(s), 2948(s), 1559(vs), 1380(vs), 1276(m), 1132(s), 982(m), 887(w), 782(w), 732(w), 672(w).
  • 20
  • [ 499-51-4 ]
  • [ 63400-46-4 ]
  • [ 5970-45-6 ]
  • [Zn(4-hydroxypyridine-2,6-dicarboxylate)(1,6-bis(1,2,4-triazol-1-yl)hexane)]2n [ No CAS ]
YieldReaction ConditionsOperation in experiment
42% In water at 150℃; for 72h; Autoclave; High pressure;
  • 21
  • 12-tungstophosphoric acid 24-hydrate [ No CAS ]
  • [ 63400-46-4 ]
  • silver nitrate [ No CAS ]
  • [Ag5(1,6-bis(1,2,4-triazol-1-yl)hexane)4(PWVI10WV2O40)] [ No CAS ]
YieldReaction ConditionsOperation in experiment
30% With nitric acid In water at 160℃; for 144h;
  • 22
  • [ 63400-46-4 ]
  • [ 609-99-4 ]
  • [ 6046-93-1 ]
  • [Cu(3,5-dinitrosalicylate)(1,6-bis(1,2,4-triazol-1-yl)hexane)] [ No CAS ]
YieldReaction ConditionsOperation in experiment
39% With sodium hydroxide In water at 120℃; for 72h; Autoclave;
  • 23
  • [ 63400-46-4 ]
  • [ 499-49-0 ]
  • [ 6147-53-1 ]
  • [Co2(5-methylisophthalic acid)2(1,6-bis(triazol)hexane)2](H2O)0.5 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide; In water; at 140℃; for 72h;Autoclave; A mixture of <strong>[499-49-0]5-methylisophthalic acid</strong> (18.2 mg, 0.1 mmol),1,6-bis(triazol)hexane (22.0 mg, 0.1 mmol), Co(OAc)2¢4H2O(24.9 mg, 0.1 mmol), NaOH(4 mg, 0.1mmol), and H2O(12 mL) was placed into 25mL Teflon-lined autoclave andheated at 140C for 72 h. The autoclave was cooled over aperiod of 11 h at a rate 5C h1 to room temperature. Redcrystals of complex 1 were obtained. It was collected by filtration,and dried in air. Anal. Calcd. (percent) forC38H45Co2N16O4.5: C, 49.84; H, 4.95; N, 24.47. Found (percent):C, 49.80; H, 4.89; N, 24.42. IR (cm1):3119 (s), 2919(m),2850(m), 1614 (s), 1539 (s), 1383 (s), 1279 (m), 1131 (s), 778(s), 725 (s), 667 (s).
  • 24
  • potassiumhexacyanoferrate(II) trihydrate [ No CAS ]
  • copper(II) bromide dihydrate [ No CAS ]
  • [ 63400-46-4 ]
  • [Cu(CN)(1,6-bis(1,2,4-triazol-1-yl)hexane)0.5] [ No CAS ]
YieldReaction ConditionsOperation in experiment
30% In water at 140℃; for 168h; Sealed tube; Autoclave; High pressure;
  • 25
  • [ 63400-46-4 ]
  • ferrous ammonium sulphate hexahydrate [ No CAS ]
  • ammonium thiocyanate [ No CAS ]
  • [Fe(NCS)2(1,6-bis(1,2,4-triazol-1-yl)hexane)2]n [ No CAS ]
YieldReaction ConditionsOperation in experiment
47.5% With ascorbic acid In water Heating; 2.2. Synthesis of [Fe(NCS)2(btm)2]*H2O}n (1) General procedure: Three 50 mL beakers are named A, B and C, respectively. In beaker A, NH4NCS (1 mmol, 0.07612 g) was dissolved in 8 mL H2O; in beaker B, a mixture of (NH4)2Fe(SO4)2*6H2O (0.5 mmol, 0.19607 g) and ascorbic acid (90 mg) was dissolved in 8 mL H2O; in beaker C, the ligand btm (1 mmol, 0.1501 g) was dissolved in 10 mL H2O. Three beakers were heated to boiling and then the solution in beaker B and C were poured into A in turn with stirring. The mixture was cooled to room temperature and colorless crystals of 1 suitable for X-ray diffraction were obtained by evaporation of the filtrate after 48 h.
  • 26
  • strontium (III) chloride hexahydrate [ No CAS ]
  • ammonium heptamolybdate dihydrate [ No CAS ]
  • [ 63400-46-4 ]
  • phosphoric acid [ No CAS ]
  • [ 7732-18-5 ]
  • [ 6046-93-1 ]
  • (1,6-bis(triazol)hexane+4H)[{Cu(H2O)}2{Sr ⊂ P6Mo18O73}]·4H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
47% With sodium hydroxide at 160℃; for 96h; Autoclave; High pressure;
  • 27
  • iron(II) acetate tetrahydrate [ No CAS ]
  • ammonium heptamolybdate dihydrate [ No CAS ]
  • [ 63400-46-4 ]
  • phosphoric acid [ No CAS ]
  • [ 7732-18-5 ]
  • calcium chloride [ No CAS ]
  • C10H16N6*Fe(2+)*5H2O*4H(1+)*CaP6Mo18O73(6-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
40% Stage #1: iron(II) acetate tetrahydrate; ammonium heptamolybdate dihydrate; 1,6-bis(1H-1,2,4-triazol-1-yl)hexane; phosphoric acid; water; calcium chloride With sodium hydroxide at 20℃; for 0.5h; Stage #2: at 160℃; for 96h; Autoclave;
  • 28
  • [ 7784-46-5 ]
  • copper(II) nitrate trihydrate [ No CAS ]
  • molyddic acid [ No CAS ]
  • [ 63400-46-4 ]
  • [ 7732-18-5 ]
  • [{Cu2(1,6-bis(1,2,4-triazollyl)hexane)4}{H2As2Mo6O26}]·H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
25% Stage #1: sodium arsenite; copper(II) nitrate trihydrate; molyddic acid; 1,6-bis(1H-1,2,4-triazol-1-yl)hexane; water at 20℃; for 0.5h; Stage #2: With ammonium hydroxide Stage #3: at 140℃; for 144h; Autoclave; High pressure;
  • 29
  • copper(II) acetate dihydrate [ No CAS ]
  • H3O40W12(5-) [ No CAS ]
  • [ 63400-46-4 ]
  • 5Cu(1+)*4C10H16N6*H3W12O40(5-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
In water at 160℃; for 72h; High pressure;
  • 30
  • copper(ll) sulfate pentahydrate [ No CAS ]
  • [ 63400-46-4 ]
  • [ 3577-63-7 ]
  • [ 7732-18-5 ]
  • catena-poly-[[[diaquacopper(II)]-μ-1,6-bis(1H-1,2,4-triazol-1-yl)hexane-κ<SUP>2</SUP>N<SUP>4</SUP>:N<SUP>4'</SUP>]bis(3-amino-4-carboxybenzenesulfonate) dihydrate] [ No CAS ]
YieldReaction ConditionsOperation in experiment
62.2% Stage #1: copper(ll) sulfate pentahydrate; 2-amino-5-sulfo-benzoic acid; water With sodium hydroxide Stage #2: 1,6-bis(1H-1,2,4-triazol-1-yl)hexane 2.2.1. Synthesis of (1). To a solution of H2afsb (0.044 g,0.2 mmol) and NaOH (0.004 g, 0.1 mmol) in water (5 ml) wasadded a solution of CuSO4.5H2O (0.024 g, 0.1 mmol) in water(3 ml). To the resulting blue solution, aqueous bth (3 ml,0.044 g, 0.2 mmol) was added and the solution filtered. Thefiltrate was kept at room temperature for slow evaporation.After about 3 d, blue crystals of (1) suitable for single-crystalX-ray diffraction analysis were obtained (yield 62.2%, basedon H2afsb). FT-IR (KBr, ν, cm-1): 3470 (s), 3355 (s), 3445 (m),2933 (m), 1695 (s), 1609 (vs), 1532 (s), 1292 (s), 1234 (s), 1138(vs), 1033 (s), 688 (m), 582 (m).
  • 31
  • sodium silicate [ No CAS ]
  • ammonium molybdate [ No CAS ]
  • [ 63400-46-4 ]
  • [ 7646-85-7 ]
  • di-zinc(II) tetra{1,2-bis(1,2,4-triazol-1-yl)hexane} mono(dodecamolybdosilicate) [ No CAS ]
YieldReaction ConditionsOperation in experiment
39% With hydrogenchloride In water at 170℃; for 120h; Autoclave; High pressure; Di-zinc(II) tetra{1,2-bis(1,2,4-triazol-1-yl)ethane} mono(dodecamolybdosilicate) monohydrate A mixture of ZnCl2 (0.10 g, 0.74 mmol), Na2SiO3 (0.06 g, 0.21 mmol), (NH4)6Mo7O24(0.1 g, 0.09 mmol) and bte (0.02 g, 0.12 mmol) was dissolved in 10 mL of distilled water.The suspension was stirred for 2 h at room temperature and atmospheric pressure. ThepH was adjusted to about 4.5 with 1M HCl and the resulting suspension was heated in aTeflon-lined autoclave at 170 C under autogenous pressure for 5 days. The temperaturewas reduced to 80 C at a rate of 10 C per hour. After cooling to room temperature, theproducts were isolated manually using a microscope. Yellow block crystals of 0.05 g 1(yield 40% based on Mo) were obtained.
  • 32
  • silicotungstic acid hydrate [ No CAS ]
  • [ 63400-46-4 ]
  • cadmium(II) nitrate [ No CAS ]
  • [Cd(1,6-bis(1,2,4-triazol-1-yl)hexane)3(SiW12O40)]·H2(1,6-bis(1,2,4-triazol-1-yl)hexane) [ No CAS ]
YieldReaction ConditionsOperation in experiment
35% With nitric acid In water at 160℃; for 96h; Autoclave; The H4[SiW12O40]·14H2O (0.08 g, 0.026 mmol), Cd(NO3)2 (0.08 g, 0.34 mmol), btx (0.06 g, 0.28 mmol) and H2O (10 mL) were mixed and stirred for 1 h in air at room temperature. 1.0 M mol HNO3 was used to regulate pH to about 3.6. The suspension was transferred to a 25 mL Teflon-lined autoclave and kept at 160 °C for 4 days. After slow cooling to room temperature, the yellow block crystals of 3 were obtained. Yield 35 mg (35% based on W). Anal. Calcd for C40H66CdN24O40SiW12 (3870): C 12.42, H 1.72, N 8.69 %, Found: C: 12.37, H 1.77, N 8.62 %.
  • 33
  • copper(II) acetate dihydrate [ No CAS ]
  • [ 7631-95-0 ]
  • [ 63400-46-4 ]
  • [Cu2(1,3-bis(1,2,4-triazol-1-yl)hexane)4(β‑Mo8O26)] [ No CAS ]
YieldReaction ConditionsOperation in experiment
35% With nitric acid In water at 160℃; for 96h; Autoclave; Sealed tube; General procedure: The Na2MoO4·2H2O (0.29 g, 1.2 mmol), Cu(CH3COO)2·2H2O (0.65 g, 3.0 mmol) and btp (0.025 g, 0.14 mmol) were mixed and dissolved in distilled water (10 mL). The suspension was stirred at room temperature for 1 h. 1.0 mol L-1 HNO3 was used to regulate pH to 3.3. The suspension was then sealed into a Teflon-lined stainless steel autoclave (25 mL) and kept at 160 °C of autogenous pressure for 4 days. After slow cooling to room temperature, the blue block crystals were filtered and washed with distilled water.
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