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Chemical Structure| 845781-19-3 Chemical Structure| 845781-19-3

Structure of 845781-19-3

Chemical Structure| 845781-19-3

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Product Details of [ 845781-19-3 ]

CAS No. :845781-19-3
Formula : C14H10ClFO
M.W : 248.68
SMILES Code : O=C(C1=CC=C(F)C(Cl)=C1)CC2=CC=CC=C2
MDL No. :MFCD06201637

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Application In Synthesis of [ 845781-19-3 ]

* 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 [ 845781-19-3 ]

[ 845781-19-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 178686-24-3 ]
  • [ 845781-19-3 ]
  • [ 57-13-6 ]
  • [ 1283117-53-2 ]
YieldReaction ConditionsOperation in experiment
17.4% With hydrogenchloride; In ethanol; water; for 48.0h;Reflux; 00189] To a solution of l-(3-chloro-4-fluorophenyl)-2-phenylethanone (Intermediate17) (65 mg, 0.26 mmol), <strong>[178686-24-3]3-ethoxy-4-hydroxy-5-nitrobenzaldehyde</strong> (51.6 mg, 0.26 mmol), and urea (47.6 mg, 0.78 mmol) in 5 mL of ethanol was added 0.2 mL of concentrated HCl solution, 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% trifluoroacetic acid, over 15 min.) to give Compound 44 (22 mg, yield 17.4%). 1H NMR (DMSO- 6 300 MHz): delta 10.28 (s, IH), 8.83 (s, IH), 7.57 (s, IH), 7.43 (m, 2H), 7.28 (t, J = 9.0 Hz, IH), 7.17-7.04 (m, 5H), 6.87 (d, J = 6.3 Hz, 2H), 5.25 (d, J = 2.4 Hz, IH), 4.04 (m, 2H), 1.32 (t, J = 6.9 Hz, 3H); MS (ESI): m/z 483.9[M+1]+.
 

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