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Chemical Structure| 101975-16-0 Chemical Structure| 101975-16-0

Structure of 101975-16-0

Chemical Structure| 101975-16-0

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Product Details of [ 101975-16-0 ]

CAS No. :101975-16-0
Formula : C10H8F4O2
M.W : 236.16
SMILES Code : CC(C1=CC=CC(OC(F)(F)C(F)F)=C1)=O
MDL No. :MFCD16619658

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Application In Synthesis of [ 101975-16-0 ]

* 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 [ 101975-16-0 ]

[ 101975-16-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 101975-16-0 ]
  • [ 20357-21-5 ]
  • [ 957212-63-4 ]
YieldReaction ConditionsOperation in experiment
With caesium carbonate; In 2-methyl THF; at 30℃; for 0.666667h; A 2L 4-neck flask equipped with an overhead stirrer, thermocouple, addition funnel, nitrogen purge, and condenser was charged with anhydrous 2-methyl THF (330 mL). To the flask was then added <strong>[20357-21-5]2-bromo-6-nitrobenzaldehyde</strong> (110.0 g, 478.2 mmol) and cesium carbonate (311.6 g, 956.4 mmol) and the resulting mixture stirred under nitrogen. To the reaction mixture was then added 3-(1,1,2,2-tetrafluoroethoxyl)acetophenone (112.9 g, 478.2 mmol) slowly via an addition funnel over 40 minutes. The reaction mixture was maintained at a temperature below 45° C. and preferably below 30° C. The resultant suspension was stirred until the reaction was complete. To the reaction mixture was then added water (220 mL) at room temperature, which dissolved the cesium carbonate. The resulting mixture was allowed to cool to room temperature while agitating, then transferred to a separatory funnel. The aqueous layer was removed and the organic layer which contains the title compound (QQ'3) was used in the next step without further purification or isolation.Note: An aliquot of the reaction mixture was purified by evaporating the solvent on a rotary evaporator to yield a dark solid, which was dissolved in CDCl3, filtered to remove any undissolved solid and concentrated again on a rotary evaporator to yield the title compound as a dark solid.1H NMR (300 MHz, CDCl3) d 7.93-7.82(m, 5 H), 7.55 (t, J=8.0 Hz, 1 H), 7.46 (dd, J=1.2, 8.3 Hz, 1 H), 7.41 (t, J=8.1 Hz, 1 H), 7.05 (d, J=16.1 Hz, 1 H), 5.95 (tt, J=2.8, 53.0 Hz, 1 H); MH+ (API-ES) calculated for C17H11BrF4NO4 448, measured: 448.
 

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