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Chemical Structure| 845781-25-1 Chemical Structure| 845781-25-1

Structure of 845781-25-1

Chemical Structure| 845781-25-1

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Product Details of [ 845781-25-1 ]

CAS No. :845781-25-1
Formula : C14H10Cl2O
M.W : 265.14
SMILES Code : O=C(C1=CC(Cl)=CC(Cl)=C1)CC2=CC=CC=C2
MDL No. :MFCD06201642

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Application In Synthesis of [ 845781-25-1 ]

* 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 [ 845781-25-1 ]

[ 845781-25-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 178686-24-3 ]
  • [ 845781-25-1 ]
  • [ 57-13-6 ]
  • [ 1283117-40-7 ]
YieldReaction ConditionsOperation in experiment
26.4% With hydrogenchloride; In ethanol; water; for 48.0h;Reflux; [00176] To a solution of l-(3,5-dichlorophenyl)-2-phenylethanone (Intermediate 13)(100 mg, 0.38 mmol), <strong>[178686-24-3]3-ethoxy-4-hydroxy-5-nitrobenzaldehyde</strong> (74.6 mg, 0.38 mmol) and urea (68.0 mg, 1.13 mmol) in 20 mL of ethanol was added 0.2 mL of concentrated HC1 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 31 (53 mg, yield 26.4%). 1H NMR (DMSO- 6 400 MHz): delta 10.26 (s, IH), 8.57 (s, IH), 7.57 (s, IH), 7.50 (s, IH), 7.40 (s, IH), 7.20 (s, IH), 7.19 (s, IH), 7.07-7.11 (m, 4H), 6.88 (d, J = 6.8 Hz, 2H), 5.27 (d, J = 2.0 Hz, IH), 4.03 (m, 2H), 1.31 (t, J =7.2 Hz, IH); MS (ESI): m/z 499.9 [M+l]+.
 

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