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Chemical Structure| 181697-20-1 Chemical Structure| 181697-20-1

Structure of 181697-20-1

Chemical Structure| 181697-20-1

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Product Details of [ 181697-20-1 ]

CAS No. :181697-20-1
Formula : C14H10F2O
M.W : 232.23
SMILES Code : O=C(C1=CC(F)=CC(F)=C1)CC2=CC=CC=C2
MDL No. :MFCD06201646

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Application In Synthesis of [ 181697-20-1 ]

* 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 [ 181697-20-1 ]

[ 181697-20-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 178686-24-3 ]
  • [ 181697-20-1 ]
  • [ 57-13-6 ]
  • [ 1283117-55-4 ]
YieldReaction ConditionsOperation in experiment
19.9% With hydrogenchloride; In ethanol; water; for 48.0h;Reflux; [00191] To a solution of l-(3,5-difluorophenyl)-2-phenylethanone (Intermediate 18)(100 mg, 0.43 mmol), <strong>[178686-24-3]3-ethoxy-4-hydroxy-5-nitrobenzaldehyde</strong> (84.9 mg, 0.43 mmol), and urea (78.6 mg, 1.29 mmol) in 5 mL of ethanol was added 0.2 mL of concentrated HC1, and the mixture was refluxed for 2 days. After the solvent was removed under reduced pressure, the residue was purified by reverse-phase preparatory HPLC (26-53% acetonitrile + 0.1% trifluoroacetic acid in water + 0.1% trifluoro acetic acid, over 15 min.) to give Compound 46 (40 mg, yield 19.9%). 1H NMR (DMSO- 6 400 MHz) delta 10.27 (s, 1H), 8.81 (s, 1H), 7.56 (s, 1H), 7.41 ( s, 1H), 7.31 (m, 2H), 7.14 (s, 1H), 7.11-6.99 (m, 4H), 6.86 (d, J = 7.2 Hz, 2H), 5.24 (s, 1H), 4.04 (m, 2H), 1.32 (t, J = 12 Hz, 3H); MS(ESI): mJz 468.0 [M+l]+.
 

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