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Chemical Structure| 741721-49-3 Chemical Structure| 741721-49-3

Structure of 741721-49-3

Chemical Structure| 741721-49-3

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Product Details of [ 741721-49-3 ]

CAS No. :741721-49-3
Formula : C7H3F2NO4
M.W : 203.10
SMILES Code : O=C(O)C1=CC(F)=CC([N+]([O-])=O)=C1F
MDL No. :MFCD11848537
InChI Key :KMUYMGMBJNSLQM-UHFFFAOYSA-N
Pubchem ID :15622527

Safety of [ 741721-49-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H332-H335
Precautionary Statements:P261-P280-P305+P351+P338

Application In Synthesis of [ 741721-49-3 ]

* 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 [ 741721-49-3 ]

[ 741721-49-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 2991-28-8 ]
  • [ 741721-49-3 ]
YieldReaction ConditionsOperation in experiment
31.3% With sulfuric acid; nitric acid; at 0 - 20℃; for 1h; [00205] Step A: <strong>[2991-28-8]2,5-Difluorobenzoic acid</strong> (2.01 g, 9.90 mmol, 31.3percent yield) was dissolved in concentrated sulfuric acid (25 mL) and cooled to 00C. Nitric Acid (1.46 mL, 34.8 mmol) was added, and the reaction mixture was stirred at room temperature for one hour. The solution was extracted with DCM (3 X), and the combined organic layers were dried over sodium sulfate and concentrated. The residue was purified by column chromatography (1:1 hexanes:lpercentHCOOH/EtOAc) giving 2,5-difluoro-3-nitrobenzoic acid (2.01 g, 31.3percent) as a solid.
31.3% With sulfuric acid; nitric acid; In water; at 0 - 20℃; <strong>[2991-28-8]2,5-Difluorobenzoic acid</strong> (2.01 g, 9.90 mmol, 31.3percent yield) was dissolved in concentrated sulfuric acid (25 mL) and cooled to 0°C. Nitric Acid (1.46 mL, 34.8 mmol) was added, and the reaction mixture was stirred at room temperature for one hour. The solution was extracted with DCM (3 X), and the combined organic layers were dried over sodium sulfate and concentrated. The residue was purified by column chromatography (1:1 hexanes:lpercentHCOOH/EtOAc) giving 2,5-difluoro-3-nitrobenzoic acid (2.01 g, 31.3percent) as a solid.
31.3% With sulfuric acid; nitric acid; at 0 - 20℃; Step A: <strong>[2991-28-8]2,5-Difluorobenzoic acid</strong> (2.01 g, 9.90 mmol, 31.3percent yield) was dissolved in concentrated sulfuric acid (25 mL) and cooled to 0°C. Nitric Acid (1.46 mL, 34.8 mmol) was added, and the reaction mixture was stirred at room temperature for one hour. The solution was extracted with DCM (3 X), and the combined organic layers were dried over sodium sulfate and concentrated. The residue was purified by column chromatography (1:1 hexanes:lpercentHCOOH/EtOAc) giving 2,5-difluoro-3-nitrobenzoic acid (2.01 g, 31.3percent) as a solid.
31.3% With sulfuric acid; nitric acid; at 0 - 20℃; <strong>[2991-28-8]2,5-Difluorobenzoic acid</strong> (2.01 g, 9.90 mmol, 31.3percent yield) was dissolved in concentrated sulfuric acid (25 mL) and cooled to 0°C. Nitric Acid (1.46 mL, 34.8 mmol) was added, and the reaction mixture was stirred at room temperature for one hour. The solution was extracted with DCM (3 X), and the combined organic layers were dried over sodium sulfate and concentrated. The residue was purified by column chromatography (1:1 hexanes:lpercentHCOOH/EtOAc) giving 2,5-difluoro-3-nitrobenzoic acid (2.01 g, 31.3percent) as a solid.

  • 2
  • [ 2991-28-8 ]
  • [ 741721-49-3 ]
  • [ 741721-50-6 ]
YieldReaction ConditionsOperation in experiment
With sulfuric acid; nitric acid; at 0℃; for 2h; To a solution of 2, 5-difluoro-benzoic acid (3.66 g, 23 mmol) in concentrated sulfuric acid (10 mL) was added a mixture of 3 mL of nitric acid (90percent, fuming) and 3 mL of concentrated sulfuric acid dropwise at 0 °C. The reaction mixture was stirred at 0 C for 2 hours. The resulting mixture was then poured onto ice and extracted with ethyl acetate (3 X 30 mL). After removal of the solvent, the residue was purified by chromatography using 5percent of methanol in chloroform as eluent. A mixture of 2,5-difluoro-3-nitro-benzoic acid and 3,6- DIFLUORO-2-NITRO-BENZOIC acid was obtained. Yield 2.48 G. LH NMR (400 MHZ, CDC13) : 2, 5-difluoro-3-nitro-benzoic acid: 8 8.36 (ddd, 1H), 8.07 (ddd, 1H).
 

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