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Structure of 618070-55-6

Chemical Structure| 618070-55-6

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Product Details of [ 618070-55-6 ]

CAS No. :618070-55-6
Formula : C19H17FN2O2
M.W : 324.35
SMILES Code : O=C(C1=CC(C2=CC=CC=C2)=NN1CC3=CC=C(F)C=C3)OCC
MDL No. :MFCD03933295

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* 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 [ 618070-55-6 ]

[ 618070-55-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 13599-12-7 ]
  • [ 459-46-1 ]
  • [ 618070-55-6 ]
YieldReaction ConditionsOperation in experiment
92.4% With potassium carbonate; In acetonitrile;Reflux; A mixture of <strong>[13599-12-7]ethyl 3-phenyl-1H-pyrazole-5-carboxylate</strong> 1 (2.16 g, 10mmol), 4-fluorobenzyl bromide (1.89 g, 10 mmol) and K2CO3 (1.38 g,10 mmol) in acetonitrile (20 mL) was stirred at reflux temperature andthe progress of the reaction was monitored by TLC. After completion of the reaction, the solvent was removed under reduced pressure. The crude product was purified by column chromatography on silica gel eluting with petroleum ether/ethyl acetate (5:1) to afford product 2. White solid; yield 92.4percent; m.p. 105?106 °C; IR (KBr, cm-1): v 3137,3074, 2985, 2956, 2901, 1715, 1602, 1507, 1455, 1267, 1215, 1156, 1100,772, 759. 1H NMR (500 MHz, CDCl3): delta 7.84?7.82 (d, J = 7.1 Hz, 2H),7.42?7.39 (m, 2H), 7.34?7.29 (m, 3H), 7.16 (s, 1H), 7.00?6.96 (t, J = 8.2Hz, 2H), 5.76 (s, 2H), 4.35?4.30 (q, J = 7.1 Hz, 2H), 1.37?1.34 (t, J =7.1 Hz, 3H). 13C NMR (125 MHz, CDCl3): delta 163.3, 162.5, 161.4, 159.6,150.4, 145.3, 143.4, 133.3, 133.0, 132.9, 132.5, 132.3, 129.6, 129.5,129.4, 129.2, 129.0, 128.8, 128.7, 128.2, 125.7, 115.7, 115.5, 115.3, 109.5,108.6, 61.2, 61.1, 54.4, 53.4, 14.5, 14.2. HRMS calcd for C19H18FN2O2[M + H+] 325.1352; found 325.1358.
 

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