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Chemical Structure| 54002-28-7 Chemical Structure| 54002-28-7

Structure of 54002-28-7

Chemical Structure| 54002-28-7

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Product Details of [ 54002-28-7 ]

CAS No. :54002-28-7
Formula : C9H8N2O5
M.W : 224.17
SMILES Code : O=C(O)C1=CC=CC(NC(C)=O)=C1[N+]([O-])=O

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Application In Synthesis of [ 54002-28-7 ]

* 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 [ 54002-28-7 ]

[ 54002-28-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 54002-28-7 ]
  • [ 193014-01-6 ]
YieldReaction ConditionsOperation in experiment
With sulfuric acid; sodium hydrogencarbonate; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; ethanol; hexane; ethyl acetate; PRODUCTION EXAMPLE 35 Production of ethyl 3-amino-2-nitrobenzoate A mixture of 20.2 g of 3-acetylamino-2-nitrobenzoic acid, 11.4 g of 97% sulfuric acid and 300 ml of ethanol was stirred for 23 hours while being heat-refluxed. One-hundred milliliters of ethanol were distilled off under reduced pressure, and the residue was cooled to room temperature. Subsequently, the reaction solution was poured into 200 ml of ice water containing 19.5 g of sodium hydrogencarbonate. The crystals precipitated were separated through filtration, and were washed with water. Further, these crystals were dispersed in 30 ml of a mixed solution of ethyl acetate and hexane at a ratio of 1:2. The crystals were separated through filtration, washed with hexane, and then dried to give 18.0 g of ethyl 3-amino-2-nitrobenzoate. Properties of the compound: 1 H-NMR(CDCl3, delta): 1.39(3H, t, J=7.1 Hz), 4.37(2H, q, J=7.1 Hz), 6.41(2H, br s), 6.83(1H, d, J=8.7 Hz), 8.00(1H, dd, J=1.8 and 8.7 Hz), 8.85(1H, d, J=1.8 Hz).
  • 2
  • [ 64-17-5 ]
  • [ 54002-28-7 ]
  • [ 193014-01-6 ]
YieldReaction ConditionsOperation in experiment
With sulfuric acid; for 23.0h;Heating / reflux; A mixture of 20.2 of 3-acetylamino-2-nitrobenzoic acid, 11.4 g of 97% sulfuric acid and 300 ml of ethanol was stirred for 23 hours while being heat-refluxed. One-hundred milliliters of ethanol were distilled off under reduced pressure, and the residue was cooled to room temperature.. Subsequently, the reaction solution was poured into 200 ml of ice water containing 19.5 g of sodium hydrogencarbonate.. The crystals precipitated were separated through filtration, and were washed with water.. Further, these crystals were dispersed in 30 ml of a mixed solution of ethyl acetate and hexane at a ratio of 1:2.. The crystals were separated through filtration, washed with hexane, and then dried to give 18.0 g of ethyl 3-amino-2-nitrobenzoate. Properties of the compound: 1H-NMR(CDCl3, delta): 1.39(3H, t, J=7.1 Hz), 4.37(2H, q, J=7.1 Hz), 6.41(2H, br s), 6.83(1H, d, J=8.7 Hz), 8.00(1H, dd, J=1.8 and 8.7 Hz), 8.85(1H, d, J=1.8 Hz)
 

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