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Chemical Structure| 1428478-66-3 Chemical Structure| 1428478-66-3

Structure of 1428478-66-3

Chemical Structure| 1428478-66-3

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Product Details of [ 1428478-66-3 ]

CAS No. :1428478-66-3
Formula : C8H5BrFNO
M.W : 230.03
SMILES Code : N#CC1=C(OC)C=CC(Br)=C1F
MDL No. :MFCD25542119

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Application In Synthesis of [ 1428478-66-3 ]

* 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 [ 1428478-66-3 ]

[ 1428478-66-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 94088-46-7 ]
  • [ 1428478-66-3 ]
YieldReaction ConditionsOperation in experiment
80% With bromine; iron; In tetrachloromethane; at -10 - 20℃; a) 3-Bromo-<strong>[94088-46-7]2-fluoro-6-methoxybenzonitrile</strong> I78 A solution of Br2 (507 mg, 3.2 mmol) in CCl4 (4.0 mL) was added to a solution of 2- fluoro-6-methoxybenzonitrile (480 mg, 3.2 mmol) and Fe (8.0 mg, 0.1 mmol) in CCI4 (4.0 mL) at -10 C over a period of 30 min and the mixture was then allowed to warm to RT and stirred overnight. The mixture was partitioned between water and EtOAc, the layers were separated and the organic layer was washed with a saturated aqueous Na2SO3 solution (x 2), brine, dried over anhydrous Na2SO4, filtered and concentrated to give [101] the title compound (580 mg, 80%) as a white solid. LCMS-C: Rt 2.12 min; m/z 229.9 [M+H]+.
  • 2
  • [ 94088-46-7 ]
  • [ 1428478-66-3 ]
  • 3-bromo-6-fluoro-2-methoxybenzonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
With N-Bromosuccinimide; trifluorormethanesulfonic acid; at 0 - 20℃; for 72h; Step 1 : A solution of <strong>[94088-46-7]2-fluoro-6-methoxybenzonitrile</strong> (10 g, 66.2 mmol) in (0490) trifluoromethanesulfonic acid (100 mL) at 0C was treated with N-bromosuccinimide (12.4 g, 69.5 mmol) and the mixture was allowed to warm to RT and was stirred for 3 days. The reaction mixture was cooled to 0 C, quenched with ice, and made basic with 6 M KOH, and the resulting solid was collected by filtration. The filter cake was dissolved in ethyl acetate and dried over sodium sulfate, and the mixture was filtered. The filtrate was concentrated to afford an approximately 1 :1 mixture of 3-bromo-6-fluoro-2-methoxybenzonitrile and 3-bromo-2-fluoro- 6-methoxybenzonitrile, which was used in the next step without purification or analysis.
 

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