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Chemical Structure| 1239510-81-6 Chemical Structure| 1239510-81-6

Structure of 1239510-81-6

Chemical Structure| 1239510-81-6

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Product Details of [ 1239510-81-6 ]

CAS No. :1239510-81-6
Formula : C6H3FN2O
M.W : 138.10
SMILES Code : FC1=CC=C(C#N)[N+]([O-])=C1

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Application In Synthesis of [ 1239510-81-6 ]

* 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 [ 1239510-81-6 ]

[ 1239510-81-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 327056-62-2 ]
  • [ 1239510-81-6 ]
YieldReaction ConditionsOperation in experiment
52% With 3-chloro-benzenecarboperoxoic acid; In chloroform; for 96h;Reflux; A solution of <strong>[327056-62-2]5-fluoropicolinonitrile</strong> (7.27 g, 59.5 mmol) in CHCl3 (60 mL) was added dropwise by addition funnel to a solution of m-CPBA (<77%, 22.00 g, 98 mmol) in CHCl3 160 mL). The solution was stirred at reflux for 4 days, at which time LCMS showed 85% conversion. The sample was allowed to cool, then sodium sulfite (12.4 g, 98 mmol) was added and the sample was stirred at room temperature for three hours, during which time the solution became thick with a white precipitate. The sample was diluted with DCM (300 mL) and filtered on a Buchner funnel, and the filter cake was washed with DCM (400 mL). A white material precipitated in the filtrate. The filtrate mixture was washed with saturated aqueous NaHCO3 (400 mL), during which the solids went into solution. The organic layer was washed with water (300 mL), then dried (MgSO4) and filtered. Silica gel was added and the mixture was evaporated under reduced pressure. The material was chromatographed by Biotage MPLC (340 g silica gel column) with 0 to 100% EtOAc in hexanes, with isocratic elution when peaks came off to provide <strong>[327056-62-2]2-cyano-5-fluoropyridine</strong> 1-oxide (4.28 g, 31.0 mmol, 52% yield) as a white solid. 1H NMR (300 MHz, DMSO-d6): δ ppm 8.85-8.93 (m, 1H), 8.23 (dd, J=9.09, 6.74 Hz, 1H), 7.53-7.64 (m, 1H). LCMS (Method 1): Rt 0.57 min., m/z 138.9 [M+H]+.
 

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