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Chemical Structure| 125404-00-4

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Product Details of [ 125404-00-4 ]

CAS No. :125404-00-4
Formula : C16H13N
M.W : 219.28
SMILES Code : NC1=CC=C(C2=C3C=CC=CC3=CC=C2)C=C1
MDL No. :MFCD04117441
InChI Key :OGHOZWNRKYYYHY-UHFFFAOYSA-N
Pubchem ID :2760169

Safety of [ 125404-00-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 125404-00-4 ]

* 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 [ 125404-00-4 ]

[ 125404-00-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 26608-06-0 ]
  • [ 125404-00-4 ]
  • C40H25NO2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% With tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine; sodium t-butanolate; In toluene; for 7h;Inert atmosphere; Reflux; Under an argon atmosphere, 1.13 g of Compound H, 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 1.85 g of Compound I as a white solid (Yield 65%). The molecular weight of Compound I thus obtained was measured using FAB-MS, and a value of 551 (C40H25NO2) was obtained. In addition, 1H NMR (CDCl3, 300 MHz) of Compound I was measured, and the chemical shift values expected from the structure of Compound I were obtained. Thus, the synthesis of Compound I was secured. In addition, the glass transition temperature of Compound I was measured using a differential scanning calorimetry, DSC 7020 of Hitachi Hightech Co., and a value of Tg: 100 C. was obtained.
 

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