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Chemical Structure| 681004-60-4
Chemical Structure| 681004-60-4
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Product Details of [ 681004-60-4 ]

CAS No. :681004-60-4 MDL No. :MFCD31380110
Formula : C10H8N6 Boiling Point : -
Linear Structure Formula :- InChI Key :YLVOERRBUWBZGC-UHFFFAOYSA-N
M.W : 212.21 Pubchem ID :85962947
Synonyms :

Safety of [ 681004-60-4 ]

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 [ 681004-60-4 ]

* 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 [ 681004-60-4 ]

[ 681004-60-4 ] Synthesis Path-Downstream   1~22

  • 1
  • N,N-dimethylformamide azine dihydrochloride [ No CAS ]
  • [ 52761-74-7 ]
  • [ 681004-60-4 ]
YieldReaction ConditionsOperation in experiment
45% In benzene for 8h; Heating;
  • 2
  • [ 681004-60-4 ]
  • [ 7732-18-5 ]
  • [ 7787-70-4 ]
  • [Cu4Br4(4-(4-aminophenyl)-4H-1,2,4-triazole)2]*H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
38.7% With ammonia In water High Pressure; mixt. stirred under ambient conditions, heated in Teflon-lined steinlesssteel vessel at 160 °C for 5 d (pH 9.9, ammonia); cooling (5 °C/h), washing (water), air-drying, elem. anal.;
  • 3
  • zinc perchlorate [ No CAS ]
  • [ 681004-60-4 ]
  • [ 100-21-0 ]
  • [ 33513-42-7 ]
  • [Zn43-OH)2(BDC)3(L2)]n [ No CAS ]
YieldReaction ConditionsOperation in experiment
25% With sodium hydroxide In water; N,N-dimethyl-formamide at 90℃; for 72h; Sealed tube;
  • 4
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 681004-60-4 ]
  • [ 100-21-0 ]
  • [ 7732-18-5 ]
  • [Zn(1,4-bis(1,2,4-triazol-4-yl)benzene)(1,4-benzenedicarboxylate)]*3H2O}n [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide In N,N-dimethyl-formamide for 0.166667h; Synthesis of [Zn(btx)(1,4-bdc)]*3H2O (1) and [Zn(btx)0.5(fum)(H2O)]n (2): General procedure: A solution of 1,4-H2bdc or H2fum (0.2 mmol) in 10 mL of H2O was adjusted to pH 6 with dilute NaOH solution and Zn(NO3)2⩽6H2O (0.2 mmol) was added with stirring. Then 5 mL DMF solution of btx (0.2 mmol) was added and continuously stirred for ten minutes. The mixture solution was filtered and stood for one month to give colorless single crystals of 1 and 2. Anal. Calcd. for C18H18N6O7Zn (1) C, 43.61; H, 3.66; N, 16.96. Found: C, 43.55%; H, 3.60%; N, 16.89%. Anal. Calcd. for C9H8N3O5Zn (2) C, 35.61; H, 2.66; N, 13.85. Found: C, 35.54%; H, 2.60%; N, 13.78%.
  • 5
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 681004-60-4 ]
  • [ 7732-18-5 ]
  • [ 110-17-8 ]
  • [Zn(1,4-bis(1,2,4-triazol-4-yl)benzene)0.5(fumarate)(H2O)]n [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide In N,N-dimethyl-formamide for 0.166667h; Synthesis of [Zn(btx)(1,4-bdc)]3H2O (1) and [Zn(btx)0.5(fum)(H2O)]n (2): General procedure: A solution of 1,4-H2bdc or H2fum (0.2 mmol) in 10 mL of H2O was adjusted to pH 6 with dilute NaOH solution and Zn(NO3)2⩽6H2O (0.2 mmol) was added with stirring. Then 5 mL DMF solution of btx (0.2 mmol) was added and continuously stirred for ten minutes. The mixture solution was filtered and stood for one month to give colorless single crystals of 1 and 2. Anal. Calcd. for C18H18N6O7Zn (1) C, 43.61; H, 3.66; N, 16.96. Found: C, 43.55%; H, 3.60%; N, 16.89%. Anal. Calcd. for C9H8N3O5Zn (2) C, 35.61; H, 2.66; N, 13.85. Found: C, 35.54%; H, 2.60%; N, 13.78%.
  • 6
  • [ 681004-60-4 ]
  • zinc(II) hexafluorosilicate hexahydrate [ No CAS ]
  • [Zn(μ2-1,4-di-(1,2,4-triazole-4-yl)benzene)(H2O)4]SiF6·2H2O}n [ No CAS ]
YieldReaction ConditionsOperation in experiment
35% In water at 160℃; for 12h; Autoclave; Synthesis of 1 All reagents were purchased commercially and used withoutfurther purification. A mixture of ZnSiF6·6H2O (15.7 mg,0.05 mmol) and L (21.4mg, 0.1 mmol) in 5ml H2O were placed in a Teflon vessel in a steel autoclave, heated at 160C for 12 h,and then cooled to room temperature over the period of 72 h.The resulting colorless block-shaped crystals of 1 were washed several times by water and diethyl ether. The yield is 35% based on Zn. Elemental analysis for 1 (C10H20F6N6O6SiZn), Anal.Calcd.,%: C, 22.76; H, 3.82; N, 15.93. Found,%: C, 22.80; H,3.97; N, 16.13.
  • 7
  • [ 681004-60-4 ]
  • cobalt(II) chloride hexahydrate [ No CAS ]
  • [ 333-20-0 ]
  • 3C10H8N6*2Co(2+)*4CNS(1-)*6H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
53% Stage #1: cobalt(II) chloride hexahydrate; potassium thioacyanate In water for 0.5h; Stage #2: 1,4-phenylene-4,4′-bis(1,2,4-triazole) In ethanol; water for 2h; Syntheses of 1-3 Compound 2 was produced by dissolving a mixture ofCoCl2·6H2O (0.5 mmol, 0.1190 g) and KSCN (1 mmol,0.0972 g) in 10 mL water with stirring for 0.5 h, then an ethanolsolution (10 mL) of L2 (0.5 mmol, 0.106 g) was slowly added.The resulting solution was heated and stirred for 2 h, and thenfiltered to remove any undissolved material. The filtrate wasallowed to stand in air at room temperature for several days,giving orange crystals of 2 suitable for X-ray diffraction (Yield:53%).
  • 8
  • [ 681004-60-4 ]
  • zinc(II) hexafluorosilicate hexahydrate [ No CAS ]
  • F6Si(2-)*C10H8N6*2Zn(2+)*3H2O*O(2-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
12% With sodium hydroxide In water at 20 - 140℃; for 84h; Autoclave; Synthesis of 1 All reagents were purchased commercially and used without further purification. A mixture of ZnSiF6·6H2O (15.7 mg,0.05 mmol), NaOH (3.9 mg, 0.01 mmol), and L (21.4 mg,0.1mmol) in 5 mLH2O were placed in a Teflon vessel in a steel autoclave, heated at 140C for 12 h and then cooled to room temperature over the period of 72 h. The resulting colorless block-shaped crystals of 1 were washed several times by water and diethyl ether. The yield is 12% based on Zn. Elemental analysis for 1 (C10N6Zn2SiF6H14O4): Anal. Calcd. (%): C, 21.64;H, 2.54; N, 15.14. Found (%): C, 21.99; H, 2.94; N, 15.55
  • 9
  • [ 681004-60-4 ]
  • cadmium(II) perchlorate hexahydrate [ No CAS ]
  • [ 100-21-0 ]
  • [ 7732-18-5 ]
  • [ 33513-42-7 ]
  • [Cd2(BDC)2(1,4-bis(4H-1,2,4-triazol-4-yl)benzene)(N,N′-dimethylformamide)(H2O)2]·2H2O}n [ No CAS ]
YieldReaction ConditionsOperation in experiment
30% With sodium hydroxide at 90℃; for 72h; Sealed tube; High pressure; 2.3.1. Synthesis of [Zn(BDC)(L1)]·H2BDC}n (1) L1 (0.0064 mg, 0.02 mmol), H2BDC (0.0033 mg, 0.02 mmol), NaOH (0.0016 mg, 0.04 mmol), andZn(ClO4)2·6H2O (0.0185 mg, 0.05 mmol) were dissolved in a mixture of 1 ml DMF and 2 ml water, thenthe mixture was sealed in a vial, which was heated at 90 °C for 3 days to yield colorless cubic crystals (yield: 40% based on L1).
  • 10
  • copper(II) choride dihydrate [ No CAS ]
  • [ 681004-60-4 ]
  • 4K(1+)*O40SiW12(4-)*4.8H2O [ No CAS ]
  • [Cu4(1,4-di(4H-1,2,4-triazol-4-yl)benzene)4(SiW12O40)]n [ No CAS ]
YieldReaction ConditionsOperation in experiment
36% With sodium hydroxide In water; acetonitrile at 160℃; for 72h; High pressure; Autoclave;
  • 11
  • copper(II) choride dihydrate [ No CAS ]
  • [ 681004-60-4 ]
  • [ 7732-18-5 ]
  • [ 67-68-5 ]
  • C10H8N6*Cu(2+)*2Cl(1-)*6H2O*0.25C2H6OS [ No CAS ]
YieldReaction ConditionsOperation in experiment
50% at 120℃; for 48h; Autoclave; High pressure;
  • 12
  • [ 681004-60-4 ]
  • [ 7732-18-5 ]
  • [ 67-68-5 ]
  • [ 7789-45-9 ]
  • C10H8N6*Cu(2+)*2Br(1-)*6H2O*0.25C2H6OS [ No CAS ]
YieldReaction ConditionsOperation in experiment
56% at 120℃; for 48h; Autoclave; High pressure;
  • 13
  • {N'-[(dimethylamino)methylene]-N,N-dimethylhydrazonoformamide dihydrochloride} [ No CAS ]
  • [ 106-50-3 ]
  • [ 681004-60-4 ]
YieldReaction ConditionsOperation in experiment
64% With toluene-4-sulfonic acid In o-xylene for 45h; Reflux;
47% Stage #1: {N'-[(dimethylamino)methylene]-N,N-dimethylhydrazonoformamide dihydrochloride}; 1,4-phenylenediamine In o-xylene for 24h; Reflux; Stage #2: at 150℃; for 24h; High pressure;
  • 14
  • [ 681004-60-4 ]
  • copper(l) cyanide [ No CAS ]
  • potassium hexacyanoferrate(III) [ No CAS ]
  • [Cu9(CN)9(1,4-bis(1,2,4-triazol-4-yl)benzene)2]·1,4-bis(1,2,4-triazol-4-yl)benzene}n [ No CAS ]
YieldReaction ConditionsOperation in experiment
5% In ethanol; water at 160℃; for 72h; High pressure;
  • 15
  • copper(II) choride dihydrate [ No CAS ]
  • [ 681004-60-4 ]
  • 4H(1+)*(x)H2O*SiW12(4-) [ No CAS ]
  • [ 7732-18-5 ]
  • O40SiW12(4-)*4Cu(2+)*4HO(1-)*16H2O*2C10H8N6 [ No CAS ]
YieldReaction ConditionsOperation in experiment
0.35% Stage #1: copper(II) choride dihydrate; 1,4-phenylene-4,4′-bis(1,2,4-triazole); 4H(1+)*(x)H2O*SiW12(4-); water at 20℃; for 4h; High pressure; Stage #2: With hydrogenchloride at 160℃; for 72h; High pressure; Autoclave;
  • 16
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 681004-60-4 ]
  • [Zn(μ4-1,4-phenylene-4,4′-bis(1,2,4-triazole))(μ2-NO3)]·NO3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
86% In N,N-dimethyl-formamide; acetonitrile at 85℃; for 120h; High pressure;
  • 17
  • cadmium sulfate [ No CAS ]
  • [ 681004-60-4 ]
  • [ 100-21-0 ]
  • [ 7732-18-5 ]
  • [ 33513-42-7 ]
  • [Cd2(BDC)2(1,4-bis(4H-1,2,4-triazol-4-yl)benzene)(N,N′-dimethylformamide)(H2O)2]·2H2O}n [ No CAS ]
YieldReaction ConditionsOperation in experiment
78% In acetonitrile at 100℃; for 120h; High pressure;
  • 18
  • [ 681004-60-4 ]
  • nickel(II) chloride hexahydrate [ No CAS ]
  • C10H8N6*Ni(2+)*2Cl(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine In water; N,N-dimethyl-formamide at 130℃; for 16h;
  • 19
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 681004-60-4 ]
  • [ 7732-18-5 ]
  • [ 97-05-2 ]
  • [Zn(Hssa)(1,4‑dtb)·H2O]n [ No CAS ]
YieldReaction ConditionsOperation in experiment
51% With sodium hydroxide In ethanol at 150℃; for 48h; Preparation and characterization for [Zn(Hssa)(1,4-dtb)·H2O]n (1) C2H5OH/H2O mixture (6 mL, V;V = 2:1) consisting of H3ssa(21.8 mg, 0.1 mmol), 1, 4-DTB (22 mg, 0.1 mmol), NaOH(8 mg, 0.2 mmol) and Zn(NO)3·6H2O (29.7 mg, 0.1 mmol)was hermetically put in 25-ml stainless steel containerlined with Teflon, heated up at 150 degree centigrade fortwo days. Gradually cooled to ambient temperature at a rateof 10·h-1, buff column 1 was gained. With zinc as rawmaterial, the yield of reaction 1 was about 51%. Elementalanalysis calculated. for C17H14N6O7SZn(1) C, 39.90; H, 2.76; N, 16.42; S, 6.26. Findings: C, 39.74; H, 2.82; N,15.96; S, 6.31
  • 20
  • copper(II) nitrate trihydrate [ No CAS ]
  • [ 681004-60-4 ]
  • [ 7732-18-5 ]
  • [ 7697-37-2 ]
  • [ 33513-42-7 ]
  • 2C10H8N6*CHO2(1-)*NO3(1-)*3C3H7NO*3Cu(2+)*2O(2-)*3H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% In ethanol at 85℃; for 12h;
  • 21
  • cadmium sulfate [ No CAS ]
  • [ 681004-60-4 ]
  • [ 100-21-0 ]
  • [ 7732-18-5 ]
  • [ 33513-42-7 ]
  • [ 75-05-8 ]
  • 2C8H4O4(2-)*C10H8N6*2Cd(2+)*C2H8N(1+)*CN(1-)*4H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
60% Stage #1: cadmium sulfate; 1,4-phenylene-4,4′-bis(1,2,4-triazole); terephthalic acid; water; N,N-dimethyl-formamide; acetonitrile at 20℃; for 1h; Stage #2: at 100℃; for 120h; Autoclave; [(CH3)2NH2][Cd2(μ2-CN)(H2O)2](1,4-BDC)2(p-tr2Ph)}*2H2O (1) CdSO4 (42.4 mg), p-tr2Ph (12.6 mg), 1,4-H2BDC (17.6 mg) were dissolved in 6 mL DMF/CH3CN/H2O (1: 3: 2) in a 20 mL glass vial, andthen the resulting solution was stirred for about 1 h at room temperature,and heated at 100 °C for 5 days under autogenous pressure. After the mixture was cooled naturally to room temperature, white block crystalswere obtained after washed with 5 mL fresh CH3CN for 3 times, Yield: 60% (based on p-tr2Ph). Elemental analysis calcd (%) forC29H32O12N8Cd2 (Fw 909.43): C, 38.30; H, 3.54; N, 12.32. Found: C,38.97; H, 3.32; N, 12.46. IR (KBr pellet, ν/cm1, Fig. S1): 3354(m),3263(m), 3158(m), 3100(m), 1647(s), 1561(s), 1373(s), 1237(w),1102(m), 1054(m), 1017(w), 887(w), 839(m), 754(m), 644(m), 546(w).
  • 22
  • cadmium sulfate [ No CAS ]
  • [ 681004-60-4 ]
  • [ 100-21-0 ]
  • [ 7732-18-5 ]
  • 4C8H4O4(2-)*C10H8N6*4Cd(2+)*4H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
76% Stage #1: cadmium sulfate; 1,4-phenylene-4,4′-bis(1,2,4-triazole); terephthalic acid; water In N,N-dimethyl-formamide; acetonitrile at 20℃; for 1h; Stage #2: In N,N-dimethyl-formamide; acetonitrile at 100℃; for 120h; Autoclave; [(CH3)2NH2][Cd2(μ2-CN)(H2O)2](1,4-BDC)2(p-tr2Ph)}*2H2O (1) CdSO4 (42.4 mg), p-tr2Ph (12.6 mg), 1,4-H2BDC (17.6 mg) were dissolved in 6 mL DMF/CH3CN/H2O (1: 3: 2) in a 20 mL glass vial, andthen the resulting solution was stirred for about 1 h at room temperature,and heated at 100 °C for 5 days under autogenous pressure. After the mixture was cooled naturally to room temperature, white block crystalswere obtained after washed with 5 mL fresh CH3CN for 3 times, Yield: 60% (based on p-tr2Ph).
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