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Chemical Structure| 211685-96-0 Chemical Structure| 211685-96-0

Structure of 211685-96-0

Chemical Structure| 211685-96-0

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Product Details of [ 211685-96-0 ]

CAS No. :211685-96-0
Formula : C42H27N3
M.W : 573.68
SMILES Code : N1(C2=CC=CC=C2C3=CC=CC=C13)C4=CC=C5N(C6=CC=C(C=C6C5=C4)N7C8=CC=CC=C8C9=CC=CC=C79)C%10=CC=CC=C%10
MDL No. :MFCD22572690
InChI Key :ZEGYQBGJQMTXKA-UHFFFAOYSA-N
Pubchem ID :57757333

Safety of [ 211685-96-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Application In Synthesis of [ 211685-96-0 ]

* 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 [ 211685-96-0 ]

[ 211685-96-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 86-74-8 ]
  • [ 57103-20-5 ]
  • [ 211685-96-0 ]
YieldReaction ConditionsOperation in experiment
38% With copper(l) iodide; 18-crown-6 ether; potassium carbonate; at 180℃; for 3.5h;Inert atmosphere; First, in a 200-mL three-neck flask, a mixture including 2.8 g (7.0 mmol) of <strong>[57103-20-5]3,6-dibromo-9-phenyl-9H-carbazole</strong>, 2.7 g (16 mmol) of carbazole, 1.9 g (10 mmol) of copper(I) iodide, 2.5 g (10 mmol) of 18-crown-6-ether, 2.8 g (20 mmol) of potassium carbonate, and 20 mL of 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (abbreviation: DMPU) was stirred under a nitrogen atmosphere at 180° C. for 3.5 hours to cause a reaction. (0319) After the reaction, water was added to this reaction mixture and filtration was performed. Methanol was added to an obtained residue and ultrasonic cleaning was performed. The residue was collected and dried; then, toluene was added and the mixture was stirred while being heated, and then filtered. An obtained filtrate was purified by silica gel column chromatography. An obtained fraction was recrystallized, so that an objective substance was obtained as 1.5 g of white powder at a yield of 38percent. The above reaction is shown in Scheme (b-1) below. (0320) compound obtained by the above synthesis method are shown below. The results showed that the above-described PhCzGI (abbreviation) was obtained. (0323) 1H NMR data of the obtained substance are as follows: (0324) 1H NMR (CDCl3, 300 MHz): delta (ppm)=7.26-7.32 (m, 4H), 7.40 (d, J=3.3 Hz, 8H), 7.57-7.74 (m, 9H), 8.16 (d, J=7.5 Hz, 4H), 8.28 (d, J=1.5 Hz, 2H).
 

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