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Chemical Structure| 120407-73-0 Chemical Structure| 120407-73-0

Structure of 120407-73-0

Chemical Structure| 120407-73-0

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Product Details of [ 120407-73-0 ]

CAS No. :120407-73-0
Formula : C8H11F3O2
M.W : 196.17
SMILES Code : O=C(/C=C/OCCCC)C(F)(F)F
MDL No. :MFCD09259041

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Application In Synthesis of [ 120407-73-0 ]

* 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 [ 120407-73-0 ]

[ 120407-73-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 120407-73-0 ]
  • [ 107-91-5 ]
  • [ 116548-04-0 ]
YieldReaction ConditionsOperation in experiment
70.4% Cyanoacetamide (2.35 g, 0.028 mol) was taken in ethanol (50 mL) containing sodium ethoxide (shining sodium metal was dissolved in anhydrous ethanol at 0C, 0.87 g, 0.038 mol) and raised the temperatureup to 60C for 30 min, cooled to RT and 4-butoxy-1,1,1-trifluoro-but-3-en-2-one (5.0 g, 0.025 mol) was added drop-wise for 20 min. Reaction was allowed to reflux for 5 h and the overall reaction was monitored by TLC. After completion of the reaction, it was neutralized with 15% HCl solution, residue was extracted with ethyl acetate, dried over anhydrous sodium sulphate and distilled under vacuum, the obtained residue was purified using 60-120 mesh silica gel column chromatography. Compound was eluted with 25% ethyl acetate in n-hexane (1:3). Yield 70.4% (Pale yellow solid). m.p. 210-11C. FTIR (KBr): 2230 (CN), 1672 cm-1 (C=O); 1H NMR: (DMSO-d6, 300 MHz) delta ppm: 7.26 (d, J = 7.74, 1H, =CH-), delta 8.18 (d, J = 7.55, 1H, =CH-); 13C NMR (DMSO-d6, 75 MHz): delta 99.20(C-CN), 110.06 (Ar-C), 113.70 (CN), 119.52 (q, J = 275.09 Hz) (CF3), 144.58 (Ar-C), 146.81 (q, J = 35.21 Hz) (C-CF3), 163.58 (C=O); ESI-MS: m/z 189 (M+1), 211 (M + Na).
 

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