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Chemical Structure| 947-73-9 Chemical Structure| 947-73-9

Structure of 947-73-9

Chemical Structure| 947-73-9

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Product Details of [ 947-73-9 ]

CAS No. :947-73-9
Formula : C14H11N
M.W : 193.24
SMILES Code : NC1=CC2=CC=CC=C2C3=CC=CC=C31
MDL No. :MFCD00001177
InChI Key :KIHQWOBUUIPWAN-UHFFFAOYSA-N
Pubchem ID :13695

Safety of [ 947-73-9 ]

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

Application In Synthesis of [ 947-73-9 ]

* 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 [ 947-73-9 ]

[ 947-73-9 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 26608-06-0 ]
  • [ 947-73-9 ]
  • C26H17NO [ No CAS ]
YieldReaction ConditionsOperation in experiment
62% With 1,1'-bis-(diphenylphosphino)ferrocene; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; sodium t-butanolate; In tetrahydrofuran; for 8h;Reflux; Inert atmosphere; (Synthesis of Compound 1) (0072) Compound 1, a monoamine derivative according to an embodiment of the present disclosure, was synthesized according to Reaction 4: (0073) Compound 1 was synthesized via reaction of arylamine Compound 51 with halogenated aryl Compound 52 using a Pd-based catalyst to first produce intermediate Compound 53, as shown in Reaction 4. (0074) A suspension (300 mL) of phenanthreneamine 51 (7.40 g, 38.3 mmol), bromodibenzofuran 52 (16.3 g, 19.9 mmol), diphenylphosphinoferrocenepalladium dichloride methylene chloride complex (PdCl2(dppf)-CH2Cl2) (1.63 g, 1.99 mmol), diphenylphosphinoferrocene (dppf) (3.31 g, 5.97 mmol), and sodium tert-butoxide (3.68 g, 3.83 mmol) was refluxed while stirring under an argon atmosphere for 8 hours. The reaction product was filtered using Florisil, and the filtrate was concentrated. The residue was separated by column chromatography to produce monoamine 53 (8.52 g, yield 62%).
59% With tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine; sodium t-butanolate; In toluene; for 7h;Inert atmosphere; Reflux; Under an argon atmosphere, 1.00 g of Compound B, 1.41 g of <strong>[26608-06-0]3-bromo-dibenzofuran</strong>, 0.27 g of bis(dibenzylideneacetone)palladium(0), 0.088 g of tri-tert-butylphosphine and 3.98 g of sodium tert-butoxide were added to a 500 ml three necked flask, followed by heating and refluxing in 200 ml of a toluene solvent for about 7 hours. After air cooling, water was added to the reactant, an organic layer was separated, and solvents were distilled. The crude product thus obtained was separated using silica gel column chromatography (toluene and hexane) to produce 1.10 g of Compound D as a white solid (Yield 59%). The molecular weight of Compound D thus obtained was measured using FAB-MS, and a value of 359 (C26H17NO) was obtained.
  • 2
  • [ 26608-06-0 ]
  • [ 947-73-9 ]
  • C38H23NO2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
70% With tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine; sodium t-butanolate; In toluene; for 7h;Inert atmosphere; Reflux; Under an argon atmosphere, 1.00 g of Compound B, 2.81 g of <strong>[26608-06-0]3-bromo-dibenzofuran</strong>, 0.27 g of bis(dibenzylideneacetone)palladium(0), 0.088 g of tri-tert-butylphosphine and 3.98 g of sodium tert-butoxide were added to a 500 ml three necked flask, followed by heating and refluxing in 200 ml of a toluene solvent for about 7 hours. After air cooling, water was added to the reactant, an organic layer was separated, and solvents were distilled. The crude product thus obtained was separated using silica gel column chromatography (toluene/hexane) to produce 1.90 g of Compound C as a white solid (Yield 70%). The molecular weight of Compound C thus obtained was measured using FAB-MS, and a value of 525 (C38H23NO2) was obtained. In addition, 1H NMR (CDCl3, 300 MHz) of Compound C was measured, and the chemical shift values shown in FIG. 2 were obtained. Thus, the synthesis of Compound C was secured. In addition, the glass transition temperature of Compound C was measured using a differential scanning calorimetry, DSC 7020 of Hitachi Hightech Co., and a value of Tg: 120 C. was obtained.
  • 3
  • [ 50548-45-3 ]
  • [ 947-73-9 ]
  • C38H23NO2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
70% With tri-tert-butyl phosphine; sodium t-butanolate; In toluene; for 7h;Inert atmosphere; Reflux; Under an argon atmosphere, 1.00 g of Compound B, 2.81of 1 -bromodibenzothran, 0.27 g of bis(dibenzylideneac5 etone)palladium(0), 0.088 g of tri-tert-butylphosphine and3.98 g of sodium tert-butoxide were added to a 500 ml, three necked flask, followed by heating and refluxing in 200 ml oftoluene solvent for about 7 hours. After air cooling the resulting reactant, water was added to the reactant, an organic layer was separated therefrom, and solvents were distilled. The crude product thus obtained was separated using silica gel column chromatography (using toluene/hexane) to produce 1.90 g of Compound C as a white solid(Yield 70%). The molecular weight of Compound C thusobtained was measured using FAB-MS, and a value of 525 (C38H23N02) was obtained. In addition, the glass transition temperature of Compound C was measured using a differential scaiming calorimetry (DSC 7020 of Hitachi HightechCo.) and a value of 120 C. was obtained.
 

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