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Chemical Structure| 98300-40-4 Chemical Structure| 98300-40-4

Structure of 98300-40-4

Chemical Structure| 98300-40-4

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Product Details of [ 98300-40-4 ]

CAS No. :98300-40-4
Formula : C10H11NO5
M.W : 225.20
SMILES Code : CC(C1=C([N+]([O-])=O)C=CC(OC)=C1OC)=O
MDL No. :MFCD25969701

Safety of [ 98300-40-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H332
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Application In Synthesis of [ 98300-40-4 ]

* 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 [ 98300-40-4 ]

[ 98300-40-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 38480-94-3 ]
  • [ 98300-40-4 ]
YieldReaction ConditionsOperation in experiment
With nitric acid; In water; at -6 - -4℃; for 0.166667h; Compound 26 (5.0 g, 27.8 mmol) was stirred at -5±1° C. and 70percent HNO3 (60 mL) was added dropwise.After it was stirred at -5±1° C. for 10 min, the reaction mixture was poured into crushed ice, extracted with CH2Cl2.The extract was washed with 10percent Na2CO3 and then with water, dried over MgSO4 and concentrated.The crud intermediate (27) was directly in the next step.A solution of 27 (1.85 g, 8.22 mmol) in anhydrous MeOH (40 mL) was hydrogenated in the presence of 10percent Pd/C (0.5 g) at 25±2° C. for 2 h.The Pd/C was filtered off and the filtrate was evaporated.The residue was purified by column chromatography (SiO2, n-hexane: EtOAc=25:1) to give 1. Liquid; yield: 43.7percent; 1H-NMR (DMSO-d6, 200 MHz): delta 2.41 (s, 3H), 3.66 (s, 3H), 3.74 (s, 3H), 5.88 (s, 2H), 6.41 (d, J=9.0 Hz, 1H), 6.98 (d, J=9.0 Hz, 1H); 13C-NMR (DMSO-d6, 50 MHz): delta 33.09, 57.58, 61.14, 111.82, 116.82, 121.15, 142.62, 144.22, 149.87, 201.88; Anal. calcd for C10H13NO3: C, 61.53; H, 6.71; N, 7.18. Found: C, 61.51; H, 6.74; N, 7.22.
 

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