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Chemical Structure| 110969-50-1 Chemical Structure| 110969-50-1

Structure of 110969-50-1

Chemical Structure| 110969-50-1

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Product Details of [ 110969-50-1 ]

CAS No. :110969-50-1
Formula : C9H9NO4
M.W : 195.17
SMILES Code : O=C(O)C1=CC([N+]([O-])=O)=CC(C)=C1C
MDL No. :MFCD12173035

Safety of [ 110969-50-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 110969-50-1 ]

* 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 [ 110969-50-1 ]

[ 110969-50-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 15012-36-9 ]
  • [ 90922-71-7 ]
  • [ 110969-50-1 ]
YieldReaction ConditionsOperation in experiment
With sulfuric acid; potassium nitrate; at 0 - 20℃; Methyl 2,3-dimethylbenzoate was dissolved in concentrated sulfonic acid (10 mL). KNO3 (808 mg, 1.2 eq.) was added to the solution at 0 C., then slowly warmed to rt overnight. The reaction was quenched with water (80 mL), extracted with ethyl acetate (2×80 mL). The organic layers were evaporated to give mixture of nitrated ester and acid (1:1). The mixture was redissolved in DMF (10 mL). K2CO3 (1.1 g) and iodomethane (0.5 mL) were added to the solution. The reaction was stirred at rt for three days, then diluted with water (80 mL). It was extracted with ethyl acetate (3×80 mL) and evaporated. The residue was purified by column chromatography (EtOAc in hexanes=0-30% in 45 min) to give the desired nitrobenzoate ester. 1H NMR (300 MHz, DMSO) delta 8.31 (s, 1H), 8.24 (s, 1H), 3.86 (s, 3H), 2.46 (s, 3H), 2.40 (s, 3H).
 

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