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Chemical Structure| 113122-86-4 Chemical Structure| 113122-86-4

Structure of 113122-86-4

Chemical Structure| 113122-86-4

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Product Details of [ 113122-86-4 ]

CAS No. :113122-86-4
Formula : C12H14O2
M.W : 190.24
SMILES Code : O=C(C1OCCC1)CC2=CC=CC=C2

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Application In Synthesis of [ 113122-86-4 ]

* 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 [ 113122-86-4 ]

[ 113122-86-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 178686-24-3 ]
  • [ 113122-86-4 ]
  • [ 57-13-6 ]
  • [ 1283119-68-5 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; In ethanol; water; for 14.0h;Reflux; [00329] A mixture of 2-phenyl-l-(tetrahydrofuran-2-yl)ethanone (Intermediate 90)(522 mg, 2.75 mmol), <strong>[178686-24-3]3-ethoxy-4-hydroxy-5-nitrobenzaldehyde</strong> (695 mg, 3.3 mmol), and urea (495 mg, 8.25 mmol) in anhydrous EtOH (4 mL) was added concentrated HCl solution (0.2 mL), the reaction mixture was refluxed for 14 hours. The reaction mixture was concentrated, and purified by column chromatography and preparative HPLC to give product, contaminated with an impurity (21 mg). This was further purified by preparative TLC and preparative HPLC to give Compound 171 (14 mg). 1H NMR (DMSO- 6 400 MHz): delta 10.170 (s, 1H), 8.318 (s, 1H), 7.629 (d, J = 2.4 Hz, 1H), 7.276-7.344 (m, 5H), 7.066-7.163 (m, 2H), 5.384 (s, 1H), 4.245 (d, J = 4.0 Hz, 1H), 3.844-4.025 (m, 4H), 1.964-2.220 (m, 4H), 1.227- 1.262 (t, J = 3.0 Hz, 3H); MS (ESI): m/z 426.1 [M+l]+.
 

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