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Chemical Structure| 845781-21-7 Chemical Structure| 845781-21-7

Structure of 845781-21-7

Chemical Structure| 845781-21-7

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Product Details of [ 845781-21-7 ]

CAS No. :845781-21-7
Formula : C14H10ClFO
M.W : 248.68
SMILES Code : O=C(C1=CC(F)=CC(Cl)=C1)CC2=CC=CC=C2
MDL No. :MFCD06201638

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Application In Synthesis of [ 845781-21-7 ]

* 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 [ 845781-21-7 ]

[ 845781-21-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 178686-24-3 ]
  • [ 845781-21-7 ]
  • [ 57-13-6 ]
  • [ 1283118-51-3 ]
YieldReaction ConditionsOperation in experiment
58% With hydrogenchloride; In ethanol; water;Reflux; 00274] A mixture of l-(3-chloro-5-fluorophenyl)-2-phenylethanone (Intermediate 60)(150 mg, 0.60 mmol), <strong>[178686-24-3]3-ethoxy-4-hydroxy-5-nitrobenzaldehyde</strong> (116 mg, 0.55 mmol), urea (99 mg, 1.65 mmol), concentrated HCl (0.05 mL, 0.55 mmol) in EtOH (5 mL) was refluxed overnight. Followed standard aqueous/EtOAc workup and purified by preparative HPLC to give Compound 121 (155 mg, yield 58%). 1H NMR (DMSO- 6 400 MHz): delta 10.27 (brs, 1H), 8.85 (s, 1H), 7.58 (s, 1H), 7.40 (d, J = 1.6 Hz, 1H), 7.34 (d, J = 8.8 Hz, 1H), 7.25 (s, 1H), 7.12 (d, J = 6.4 Hz, 2H), 7.08 (d, J = 7.6 Hz, 2H), 7.01 (d, J = 7.2 Hz, 1H), 6.88 (d, J = 7.2 Hz, 2H), 5.27 (d, J = 2.4 Hz, 1H), 4.09-3.99 (m, 2H), 1.32 (t, J = 7.2 Hz, 3H); MS (ESI): m/z 484.1 [M+l]+.
 

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