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Chemical Structure| 886851-50-9 Chemical Structure| 886851-50-9

Structure of 886851-50-9

Chemical Structure| 886851-50-9

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Product Details of [ 886851-50-9 ]

CAS No. :886851-50-9
Formula : C12H12F3NO2
M.W : 259.22
SMILES Code : O=CC1=CC(C(F)(F)F)=CC=C1N2CCOCC2
MDL No. :MFCD09025884

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Application In Synthesis of [ 886851-50-9 ]

* 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 [ 886851-50-9 ]

[ 886851-50-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 110-91-8 ]
  • [ 146137-78-2 ]
  • [ 886851-50-9 ]
YieldReaction ConditionsOperation in experiment
79% With potassium carbonate; In dimethyl sulfoxide; at 85℃; Step 1: Preparation of 2-(morpholin-4-yl)-5-(trifluoromethyl)benzaldehyde [00323] A 25-mL round-bottom flask was charged with 2-fluoro-5- (trifluoromethyl)benzaldehyde (1.00 g, 5.21 mmol, 1.00 equiv), morpholine (0.680 g, 7.81 mmol, 1.50 equiv), potassium carbonate (1.80 g, 13.0 mmol, 2.50 equiv), and DMSO (10 mL). The resulting solution was stirred overnight at 85 C and then diluted with H20 (10 mL). The resulting solution was extracted with ethyl acetate (3 x 20 mL), and the organic layers were combined, washed with H20 (3 x 5 mL), dried over anhydrous sodium sulfate, filtered, and concentrated under reduced pressure. The residue was chromatographed on a silica gel column with ethyl acetate/petroleum ether (1/4) to provide 1.10 g (79% yield) of 2-(morpholin-4-yl)-5- (trifluoromethyl)benzaldehyde as a yellow oil. XH NMR (300 MHz, DMSO-i): δ 10.13 (s, 1H), 7.98 (s, 1H), 7.90 (d, J= 8.7 Hz, 1H), 7.35 (d, J= 8.7 Hz, 1H), 3.78-3.82 (m, 4H), 3.16- 3.18 (m, 4H). LCMS (ESI, m/z): 260 [M+H]+.
 

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