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Chemical Structure| 57362-77-3 Chemical Structure| 57362-77-3

Structure of 57362-77-3

Chemical Structure| 57362-77-3

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Product Details of [ 57362-77-3 ]

CAS No. :57362-77-3
Formula : C9H8INO4
M.W : 321.07
SMILES Code : CCOC(=O)C1=CC(=C(I)C=C1)[N+]([O-])=O
MDL No. :MFCD00114905

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Application In Synthesis of [ 57362-77-3 ]

* 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 [ 57362-77-3 ]

[ 57362-77-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 64-17-5 ]
  • [ 35674-27-2 ]
  • [ 57362-77-3 ]
YieldReaction ConditionsOperation in experiment
90.5% With sulfuric acid; at 0℃; for 6h;Inert atmosphere; Reflux; Embodiment 47 ethyl 4-iodo-3-nitrobenzoate <strong>[35674-27-2]4-Iodo-3-nitrobenzoic acid</strong> (1.9g, 6.48mmol) was added to a flask, followed by addition of 10mL anhydrous ethanol under argon atmosphere. The mixture was cooled to 0C under an ice bath, then 0.6mL concentrated sulfuric acid was added dropwise. After completion of the dropwise addition, the reaction solution was heated to reflux and stirred for 6 h, meanwhile TLC was used to monitor the reaction. After completion of the reaction, the reaction solution was cooled to room temperature, treated with 1mol/L sodium hydroxide to neutralize sulfuric acid to make a neutral solution, then washed with saturated sodium bicarbonate solution and saturated sodium chloride solution. The organic phase was dried over anhydrous sodium sulfate, filtered, dried, and purified by flash column chromatography (PE:EtOAc = 10:1) to give ethyl 4-iodo-3-nitrobenzoate (1.88g, 90.5%). 1H NMR (500 MHz, CDCl3) delta 8.39 (d, J = 2.0 Hz, 1H), 8.10 (d, J = 8.2 Hz, 1H), 7.85 (dd, J = 8.2, 2.0 Hz, 1H), 4.39 (q, J = 7.1 Hz, 2H), 1.39 (t, J = 7.1 Hz,3H). 13C NMR (126 MHz, CDCl3) delta 164.03, 153.15, 142.33, 133.47, 131.96, 125.98, 92.02, 62.16, 14.29. ESI(+)-MS: 322.1 [M+1]+.
  • 2
  • [ 57362-77-3 ]
  • [ 5785-70-6 ]
 

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