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Chemical Structure| 760212-40-6 Chemical Structure| 760212-40-6

Structure of 760212-40-6

Chemical Structure| 760212-40-6

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Product Details of [ 760212-40-6 ]

CAS No. :760212-40-6
Formula : C19H13BrN2
M.W : 349.22
SMILES Code : BrC1=CC=CC(=C1)C1=NC2=C(C=CC=C2)N1C1=CC=CC=C1
MDL No. :MFCD12911655
InChI Key :YFUWVSPCUFTGQN-UHFFFAOYSA-N
Pubchem ID :23094065

Safety of [ 760212-40-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 760212-40-6 ]

* 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 [ 760212-40-6 ]

[ 760212-40-6 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 760212-40-6 ]
  • [ 618442-57-2 ]
  • [ 1499166-97-0 ]
  • 2
  • [ 760212-40-6 ]
  • [ 189178-09-4 ]
  • tris(4-((3-(1-phenyl-1H-benzo[d]imidazol-2-yl)phenyl)ethynyl)phenyl)amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
35% With copper(l) iodide; trans-bis(triphenylphosphine)palladium dichloride; triethylamine; triphenylphosphine; In N,N-dimethyl-formamide; at 60℃; for 30h;Inert atmosphere; A 20 mL flask was charged with <strong>[189178-09-4]tris(4-ethynylphenyl)amine</strong> (2) (0.317 g, 1 mmol), 2-(3-bromophenyl)-1-phenyl-1H-benzo[d]imidazole (4) (1.396 g, 4 mmol), PPh3 (0.104 g, 10%), CuI (0.076 g, 10%) and Pd(PPh3)2Cl2 (0.140 g, 5%). The mixture was degassed and backfilled with argon before injecting dried NEt3 (4 mL) and dried DMF (7.5 mL). The mixture was sealed with a rubber septum and heated to 60 C for 30 h, then quenched with NH4Cl and extracted with CHCl3. The organic layer was washed with brine for 2 times and dried over MgSO4 before the solvents was evaporated in vacuum. The residue was purified with column chromatography on silica gel using dichloromethane:hexane (10:1) as eluent to give a yellow solid of m-ETBN. Yield: 3.93 g, 35%. 1H NMR (400 MHz, CDCl3): 7.94-7.90 (t, 6H, J=8.22Hz), 7.56-7.48 (m, 12H), 7.41-7.27 (m, 12H), 7.35-7.33 (d, 6H, J=7.00Hz), 7.32-7.22 (m, 9H), 7.08-7.06 (d, 6H, J=7.87Hz). 13C NMR (100 MHz, CDCl3): 151.4, 146.7, 142.7, 137.1, 136.6, 132.9, 132.3, 130.2, 129.9, 128.7, 128.2, 127.4, 124.0, 123.6, 123.3, 119.9, 117.7, 90.0, 88.5. MALDI-TOF mass: 1122.2 (M+).
  • 3
  • [ 760212-40-6 ]
  • [ 1036378-83-2 ]
  • C37H26N2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In ethanol; toluene; at 100℃; for 12h;Inert atmosphere; 10107](0.87 g, 2.5 mmol), 1-boric acid-m-terphenyl (2) (1.1 g, 4 mmol), Pd(PPh3)4 (0.11 g, 0.1 mmol), potassium carbonate (2.0 M) (5.0 ml, 10.0 mmol), toluene (25 ml) and absolute ethanol (15 ml) are sequentially put therein. They are heated to 1000 C. to react for 12 hours under the protection of nitrogen gas. After the reaction ends, they are cooled to a room temperature, an apparent layered phenomenon appears in the reaction system, the upper layer is yellow liquid and the lower layer is colorless transparent liquid. The liquid of the lower layer is removed, the solution of the upper layer is evaporated, and the obtained coarse product is purified through the method of column chromatography to obtain 0.98 g of white solid powder and the yield is 80%.10108] Physical and chemical parameters of the white solid powder are: ‘H-NMR: (CDC13, 400 MHz): ö(ppm) 7.917.93 (d, J8 Hz, 1H), 7.757.81 (m, 3H), 7.637.70 (m, 5H), 7.347.55 (m, 14H), 7.287.29 (t, J4 Hz, 3H). ‘3C-NMR (100 MHz, CDC13): ö 142.36, 141.38, 140.91, 137.11, 130.02, 129.08, 128.88, 128.77, 128.32, 127.62,127.43, 125.41, 124.97, 119.87, 110.50. MS (APCI): calcd for C37H35N2: 498.5, found, 499.6 (M+1). Anal. calcd for C37H26N2 (%): C, 89.13; H, 5.26; N, 5.62; found: C 89.38, H 5.11, N 5.51.
 

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