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Chemical Structure| 40061-25-4 Chemical Structure| 40061-25-4

Structure of 40061-25-4

Chemical Structure| 40061-25-4

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Product Details of [ 40061-25-4 ]

CAS No. :40061-25-4
Formula : C14H13NO2
M.W : 227.26
SMILES Code : O=C(C1=CC=CN=C1)CC2=CC=CC(OC)=C2

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Application In Synthesis of [ 40061-25-4 ]

* 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 [ 40061-25-4 ]

[ 40061-25-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 178686-24-3 ]
  • [ 40061-25-4 ]
  • [ 57-13-6 ]
  • [ 1283118-70-6 ]
YieldReaction ConditionsOperation in experiment
24.6% With hydrogenchloride; In ethanol; water; for 48.0h;Reflux; 00288] To a solution of 2-(3-methoxyphenyl)-l-(pyridin-3-yl)ethanone (Intermediate69) (60 mg, 0.26 mmol), <strong>[178686-24-3]3-ethoxy-4-hydroxy-5-nitro-benzaldehyde</strong> (55.8 mg, 0.26 mmol) and urea (46.8 mg, 0.78 mmol) in 3 mL of ethanol was added 0.2 mL of concentrated HC1.I l l The mixture was refluxed for 2 days. After the solvent was removed, 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 134 (30 mg, yield 24.6%). 1H NMR (CD3OD 400 MHz): delta 8.75 (s, 1H), 8.55 (d, J = 8..0 Hz, 1H), 8.01 (dd, J, = 6.0 Hz, J2 = 8.4 Hz, 1H), 7.60(d, J = 2.0 Etazeta,, IotaEta), 7.08 (m, 2H), 6.75 (dd, Jl = 2.4 Hz, J2 = 8.4 Hz, 1H), 6.55 (s, 1H), 6.49 (d, J = 3.6 Hz, 1H), 5.53 (s, 1H), 4.02 (m, 2H), 3.64 (s, 3H); 1.39 (t, J = 6.8 Hz, 3H); MS (ESI): m/z 463.1 [M+l]+.
 

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