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Chemical Structure| 1033997-01-1 Chemical Structure| 1033997-01-1

Structure of 1033997-01-1

Chemical Structure| 1033997-01-1

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Product Details of [ 1033997-01-1 ]

CAS No. :1033997-01-1
Formula : C9H6N2O4
M.W : 206.15
SMILES Code : O=C(OC)C1=CC=C(C#N)C([N+]([O-])=O)=C1
MDL No. :MFCD16036869

Safety of [ 1033997-01-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Application In Synthesis of [ 1033997-01-1 ]

* 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 [ 1033997-01-1 ]

[ 1033997-01-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1033997-01-1 ]
  • [ 153775-42-9 ]
YieldReaction ConditionsOperation in experiment
4-Cyano-3-nitro-benzoic acid methyl ester (13.4 g, 61.6 mmol) was dissolved in tetrahydrofuran (74 ml) and aqueous sodium hydroxide (IM) (73.9 ml) was added. The reaction mixture was stirred at 25C for 4 hours. Then the reaction mixture was diluted with water (700 ml) and acidified with aqueous hydrochloric acid (IM). The mixture was extracted with ethyl acetate. The combined organic phases were dried over sodium sulfate and concentrated. 4-Cyano-3-nitro-benzoic acid (12.0 g) was used in the next step without further purification. 1H-NMR (400 MHz, DMSO-d6): 13.00 (bs, IH), 8.79 (s, IH), 8.40 (d, IH), 8.30 (d, IH) ppm.
 

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