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Chemical Structure| 1548-84-1 Chemical Structure| 1548-84-1

Structure of 1548-84-1

Chemical Structure| 1548-84-1

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Product Details of [ 1548-84-1 ]

CAS No. :1548-84-1
Formula : C13H5F5O2
M.W : 288.17
SMILES Code : O=C(OC1=C(F)C(F)=C(F)C(F)=C1F)C2=CC=CC=C2
English Name :Perfluorophenyl benzoate
MDL No. :MFCD00483755

Safety of [ 1548-84-1 ]

Application In Synthesis of [ 1548-84-1 ]

* 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 [ 1548-84-1 ]

[ 1548-84-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1548-84-1 ]
  • [ 149104-90-5 ]
  • [ 53689-84-2 ]
YieldReaction ConditionsOperation in experiment
81% With tris-(dibenzylideneacetone)dipalladium(0); sodium carbonate; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 120℃; for 15h; Inert atmosphere; Schlenk technique; General Procedure for Cross-Coupling of Pentafluorophenyl Esters General procedure: An oven-dried vialequipped with a stir bar was charged with an ester substrate (neat, 1.0 equiv), boronic acid(typically, 3.0 equiv), sodium carbonate (typically, 4.5 equiv), Pd2(dba)3 (typically, 3 mol%), andPCy3HBF4 (typically, 12 mol%), placed under a positive pressure of argon, and subjected tothree evacuation/backfilling cycles under high vacuum. Dioxane (typically, 0.25 M) was addedwith vigorous stirring at room temperature, the reaction mixture was placed in a preheated oilbath at 120 °C, and stirred for the indicated time at 120 °C. After the indicated time, the reactionmixture was cooled down to room temperature, diluted with CH2Cl2 (10 mL), filtered, andconcentrated. The sample was analyzed by 1H NMR (CDCl3, 500 MHz) and GC-MS to obtainconversion, selectivity and yield using internal standard and comparison with authentic samples.Purification by chromatography afforded the pure product.
  • 2
  • [ 1548-84-1 ]
  • [ 156545-07-2 ]
  • [ 179113-89-4 ]
YieldReaction ConditionsOperation in experiment
68% With tris-(dibenzylideneacetone)dipalladium(0); sodium carbonate; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 120℃; for 15h; Inert atmosphere; Schlenk technique; General Procedure for Cross-Coupling of Pentafluorophenyl Esters General procedure: An oven-dried vialequipped with a stir bar was charged with an ester substrate (neat, 1.0 equiv), boronic acid(typically, 3.0 equiv), sodium carbonate (typically, 4.5 equiv), Pd2(dba)3 (typically, 3 mol%), andPCy3HBF4 (typically, 12 mol%), placed under a positive pressure of argon, and subjected tothree evacuation/backfilling cycles under high vacuum. Dioxane (typically, 0.25 M) was addedwith vigorous stirring at room temperature, the reaction mixture was placed in a preheated oilbath at 120 °C, and stirred for the indicated time at 120 °C. After the indicated time, the reactionmixture was cooled down to room temperature, diluted with CH2Cl2 (10 mL), filtered, andconcentrated. The sample was analyzed by 1H NMR (CDCl3, 500 MHz) and GC-MS to obtainconversion, selectivity and yield using internal standard and comparison with authentic samples.Purification by chromatography afforded the pure product.
 

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