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Chemical Structure| 943-14-6 Chemical Structure| 943-14-6

Structure of 943-14-6

Chemical Structure| 943-14-6

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Product Details of [ 943-14-6 ]

CAS No. :943-14-6
Formula : C7H4BrNO4
M.W : 246.02
SMILES Code : C1=C(C(=CC=C1[N+](=O)[O-])Br)C(O)=O
MDL No. :MFCD00134558

Safety of [ 943-14-6 ]

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

Application In Synthesis of [ 943-14-6 ]

* 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.

  • Upstream synthesis route of [ 943-14-6 ]
  • Downstream synthetic route of [ 943-14-6 ]

[ 943-14-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 64-17-5 ]
  • [ 943-14-6 ]
  • [ 208176-31-2 ]
YieldReaction ConditionsOperation in experiment
1 g
Stage #1: With oxalyl dichloride In dichloromethane at 20℃; for 0.5 h;
Stage #2: at 20℃; for 2 h;
To a solution of 2-bromo-5-nitrobenzoic acid (1.50 g, 6.12 mmol) in CH2CI2 (10 mL) was added oxalyl chloride (1.10 g, 12.24 mmol) and the resulting solution was stirred at rt for 30 minutes. Then the reaction mixture was concentrated and the residue was dissolved in EtOH and the resulting solution was stirred at rt for 2h before it was concentrated and the residue was dissolved in EtOAc. Then water was added to the resulting solution and the organic layer was washed with brine, separated, dried, filtered and concentrated to afford 1.0 g of the title product. 1H NMR (300 MHz, DMSO-i): δ 8.50 (d, J = 3.0 Hz, 1H), 8.27-8.23 (dd, J = 3.0, 8.7 Hz, 1H), 8.06-8.03 (d, J = 8.7 Hz, 1H), 4.41-4.34 (q, J = 6.9 Hz, 2H), 1.37-1.32 (t, J = 7.2 Hz, 3H).
References: [1] Patent: WO2014/167444, 2014, A1, . Location in patent: Page/Page column 66.
 

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