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Chemical Structure| 822-51-5 Chemical Structure| 822-51-5

Structure of 822-51-5

Chemical Structure| 822-51-5

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Product Details of [ 822-51-5 ]

CAS No. :822-51-5
Formula : C6H9N
M.W : 95.14
SMILES Code : CC1=CNC=C1C
MDL No. :MFCD03427290
InChI Key :OJFOWGWQOFZNNJ-UHFFFAOYSA-N
Pubchem ID :5324584

Safety of [ 822-51-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H317
Precautionary Statements:P280

Application In Synthesis of [ 822-51-5 ]

* 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 [ 822-51-5 ]

[ 822-51-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 822-51-5 ]
  • [ 16657-07-1 ]
  • 7-(3,4-dimethyl-1-pyrrolyl)indene [ No CAS ]
YieldReaction ConditionsOperation in experiment
70.01% To a 50 ml flask, 0.50 g (5.26 mmol) of 3,4-dimethyl-1H-pyrrole and 10 ml of hexane were added to form a solution, and then cooled to 0 C. to obtain an n-butyllithium / hexane solution (2.5 M) 2 .10 ml (5.25 mmol) was added, and the mixture was returned to room temperature and stirred for 30 minutes. After removing the volatiles by evaporation under reduced pressure, 10 ml of toluene, 1.23 g (6.31 mmol) of <strong>[16657-07-1]7-bromoindene</strong>, 11.80 mg (52.55 mumol) of Pd (OAc)2, (2-PhenylPh) tBu2P18. 82 mg (63.06 mumol) was sequentially added, and the mixture was stirred at reflux for 16 hours.After cooling to room temperature, 100 ml of water and 100 ml of ethyl acetate were added to the reaction solution, and the aqueous phase and the organic phase were separated with a separatory funnel.The aqueous phase was extracted twice with 100 ml of ethyl acetate, the obtained organic phase and the previous organic phase were mixed, and washed with 150 ml of saturated brine.The organic phase was dried over anhydrous sodium sulfate.Sodium sulfate was filtered, the solution was distilled off under reduced pressure, and purified with a silica gel column (petroleum ether),0.77 g (3.68 mmol, yield 70.01%) of a yellow oil of 7-(3,4-dimethyl-1-pyrrolyl)indene was obtained.
 

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