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Chemical Structure| 115519-20-5 Chemical Structure| 115519-20-5

Structure of 115519-20-5

Chemical Structure| 115519-20-5

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Product Details of [ 115519-20-5 ]

CAS No. :115519-20-5
Formula : C9H8BrF3O
M.W : 269.06
SMILES Code : FC(F)(F)OC1=CC=C(CCBr)C=C1
MDL No. :MFCD20432705

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Application In Synthesis of [ 115519-20-5 ]

* 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 [ 115519-20-5 ]

[ 115519-20-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 7343-33-1 ]
  • [ 115519-20-5 ]
  • 3-bromo-1-(4-(trifluoromethoxy)phenethyl)-1H-1,2,4-triazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
36% With caesium carbonate; In acetonitrile; at 20 - 24℃; for 72h; To a suspension of <strong>[7343-33-1]3-bromo-1H-1,2,4-triazole</strong> (0.500 g, 3.38 mmol) and cesium carbonate (1.10 g, 3.38 mmol) in acetonitrile (6.8 mL) was added 1-(2-bromoethyl)-4- (trifluoromethoxy)benzene (0.909 g, 3.38 mmol). The reaction mixture was stirred at room temperature for 3 days. The solution was diluted with dichloromethane andwashed with water. The organic extracts were washed with brine, dried, filtered, and concentrated. Purification by flash column chromatography using 0-100percent ethyl acetate/hexanes as eluent provided the title compound as a colorless oil (0.410 g, 36percent): 1H NMR (400 MHz, CDCI3) O 7.66 (s, 1H), 7.15 (dq, J = 7.7, 1.0 Hz, 2H), 7.12 -7.04 (m, 2H), 4.39 - 4.28 (m, 2H), 3.19 (t, J = 7.0 Hz, 2H); 19 NMR (376 MHz, CDCI3)O -57.93; ESIMS m/z 337 ([M+H]).
 

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