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Chemical Structure| 1069115-12-3 Chemical Structure| 1069115-12-3

Structure of 1069115-12-3

Chemical Structure| 1069115-12-3

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Product Details of [ 1069115-12-3 ]

CAS No. :1069115-12-3
Formula : C9H8BrFO2
M.W : 247.06
SMILES Code : O=C(OC)CC1=CC(F)=CC=C1Br
MDL No. :MFCD20527143

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Application In Synthesis of [ 1069115-12-3 ]

* 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 [ 1069115-12-3 ]

[ 1069115-12-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1025707-93-0 ]
  • [ 1069115-12-3 ]
  • methyl 2-(2-(3,4-dihydro-2H-pyran-6-yl)-5-fluorophenyl)acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
87.4% With potassium phosphate; tris-(dibenzylideneacetone)dipalladium(0); XPhos; In N,N-dimethyl-formamide; at 20 - 60℃; for 12h;Inert atmosphere; [0267] To solution of methyl 2-(2-bromo-5-fluorophenyl)acetate (6.3 g, 25.6 mmol) in DMF (60 mL) was added <strong>[1025707-93-0]3,4-dihydro-2H-pyran-6-boronic acid pinacol ester</strong> (5 g, 23.8 mmol), tris(dibenzylideneacetone) dipalladium (0) (468 mg, 0.52 mmol), X-Phos (238 mg, 0.52 mmol), and potassium phosphate (2.1g, 25.6 mmol). The mixture was stirred at 60 C for 12 hours under N2. The mixture was allowed to cool to room temperature and partitioned between ethyl acetate (120 mL) and water (120 mL). The organic layer was separated and the aqueous layer was extracted with ethyl acetate (60 mL X 3). The combined organic phases were washed with brine and dried over anhydrous Na2SO4. After filtration and concentration, the residue was chromatographed (Combiflash), using 0-20% EtOAc/ petroleum ether as eluent, to give methyl 2-(2-(3,4-dihydro-2H-pyran-6-yl)-5-fluorophenyl)acetate (5.2g, 87.4%). (ESI 251.1(M+H)+).
 

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