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[ CAS No. 1126896-14-7 ] {[proInfo.proName]}

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Chemical Structure| 1126896-14-7
Chemical Structure| 1126896-14-7
Structure of 1126896-14-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1126896-14-7 ]

CAS No. :1126896-14-7 MDL No. :
Formula : C48H30O12 Boiling Point : -
Linear Structure Formula :- InChI Key :GRUCPCKDKJRCJX-UHFFFAOYSA-N
M.W : 798.74 Pubchem ID :68973539
Synonyms :

Safety of [ 1126896-14-7 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1126896-14-7 ]

* 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 [ 1126896-14-7 ]

[ 1126896-14-7 ] Synthesis Path-Downstream   1~5

  • 1
  • [ CAS Unavailable ]
  • [ 1126896-14-7 ]
  • [ 7732-18-5 ]
  • [ 67-68-5 ]
  • [ 68-12-2 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
90% In water; dimethyl sulfoxide; N,N-dimethyl-formamide solvothermal react. in DMF-DMSO 5:1 in the presence of H2O at 90°C;
  • 2
  • [ 1144100-74-2 ]
  • [ 1126896-14-7 ]
YieldReaction ConditionsOperation in experiment
90% With sodium hydroxide; water In tetrahydrofuran; ethanol; water Reflux;
  • 3
  • [ CAS Unavailable ]
  • [ 1126896-14-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
57% With hydrogenchloride In 1,4-dioxane; water; N,N-dimethyl-formamide at 85℃; for 18h; 1 UMCM-450b UMCM-450b 1,3,5-tris(3′,5′-dicarboxybiphenyl-4-yl)benzene (0.0500 g, 0.0626 mmol), concentrated HCl (0.025 mL) and Cu(NO3)2.2.5H2O (0.0705 g, 0.376 mmol) are added in DMF/dioxane/H2O (10:4:1, 15 mL) and the solids are dissolved with heating. The solution is placed in a tightly screwed 20 mL vial and heated at 85° C. for 18 h. The mother liquor is removed and replaced twice with fresh DMF and then with acetone. The acetone is replaced with fresh solvent three times over a period of three days. The crystals are then placed in a Schlenk tube and dried under vacuum at ambient temperature until the material started to change color to deep purple. The crystals are further evacuated at 100° C. under vacuum for 1-2 h to yield 0.0390 g of activated UMCM-450b (0.0357 mmol as blue-green crystals, 57% based on the formula determined by elemental analysis): mp>300° C. (dec.); PXRD (Cu-κα1, 1.5418 ) 2θ (°) approx. 3.1 (100%), 6.1 (22%), 7.3 (15%), 8.2 (11%), 9.6 (25%), 11.1 (11%), 12.1 (8%), 12.9 (18%); Anal. calcd. for C48H24O12Cu3.1.5 DMF: C, 57.69; H, 3.18; N, 1.92. found: C, 57.31; H, 2.93; N, 2.30.
  • 4
  • [ CAS Unavailable ]
  • [ 1126896-14-7 ]
YieldReaction ConditionsOperation in experiment
0.783 g With water; potassium hydroxide In 1,4-dioxane for 12h; Reflux; 1 1,3,5-tris(3',5'-dicarboxybiphenyl-4-yl)benzene 1,3,5-tris(3',5'-dicarboxybiphenyl-4-yl)benzene 1,3,5-Tris(4-bromophenyl)benzene (0.980 g, 1.81 mmol), dimethyl isophthalate-5-pinacolboronate (2.08 g, 6.50 mmol), K3PO4 (tribasic, 3.84 g, 18.1 mmol) and 1,4-dioxane (100 mL) are added into a 200 mL round-bottomed flask equipped with a magnetic stirrer and water jacketed condenser. The resulting suspension is degassed for 15 min. by sparging with nitrogen gas. Pd(PPh3)4 (0.157 g, 0.136 mmol) is added, and the mixture is heated to reflux overnight under a nitrogen atmosphere. After cooling to room temperature, the reaction mixture is poured in H2O (100 mL) and the precipitate is collected by filtration and washed with a minimal amount of THF. The crude material is dissolved in dioxane/H2O (10:1, 110 mL), KOH (1.72 g, 30.6 mmol) is added and the mixture is heated to reflux for 12 hours. The solvent is removed by evaporation and the residue is dissolved in H2O (100 mL). The residual solids are filtered off and the filtrate is acidified with concentrated HCl (20 mL). The target compound is collected by filtration, washed with H2O and acetone and dried under vacuum to yield 0.783 g of 1 (0.980 mmol as a white powder, 54%): mp>300° C.; 1H NMR (400 MHz, DMSO-d6): δ 13.39 (s, 6H), 8.43 (s, 3H), 8.42 (s, 6H), 8.04 (d, 3J=8.2 Hz, 6H), 8.02 (s, 3H), 7.86 (d, 3J=8.2 Hz, 6H) ppm; 13C NMR (100 MHz, DMSO-d6): δ 166.9, 141.4, 140.9, 140.3, 138.1, 132.5, 131.6, 129.3, 128.4, 127.8, 124.9 ppm; HRMS (EI) calcd. for C48H30O12 (m/e): 798.1737. found: 798.1751.
  • 5
  • [ CAS Unavailable ]
  • [ 1126896-14-7 ]
  • [ 68-12-2 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride In water at 90℃; for 24h; Sealed tube;
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