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Chemical Structure| 400629-31-4 Chemical Structure| 400629-31-4

Structure of 400629-31-4

Chemical Structure| 400629-31-4

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Product Details of [ 400629-31-4 ]

CAS No. :400629-31-4
Formula : C8H6BrNO4
M.W : 260.04
SMILES Code : OC(CC1=CC=CC(Br)=C1[N+]([O-])=O)=O
MDL No. :MFCD18392318

Safety of [ 400629-31-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Application In Synthesis of [ 400629-31-4 ]

* 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.

  • Upstream synthesis route of [ 400629-31-4 ]

[ 400629-31-4 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 400629-31-4 ]
  • [ 320734-35-8 ]
YieldReaction ConditionsOperation in experiment
27% With sulfuric acid; zinc In ethanol; water at 20 - 70℃; for 1 h; To a freshly prepared mixture of 1-bromo-2-nitro-benzene acetic acid (1.98 g, 7.61 mmol) in EtOH (20 mL) and 9M H2SO4 (20 mL) at 50° C. was added Zn dust( 2.00 g, 30.6 mmol) at ambient temperature. The reaction was stirred for 30 minutes at ambient temperature and then at 70° C. for 30 minutes. The reaction was cooled to ambient temperature and poured into H2O (100 mL) and estracted with EtOAc (2.x.50 mL). The combined organic Layers were dried (Na2SO4), filtered and evaporated to give a crude brown residue. Chromatography on silica gel eluting with a gradient EtOAc-hexane system (1:10 to 1:1) gave the intermediate title compound (0.43 g, 27percent) as a light brown solid. Analysis Theory: C, 45.31; H, 2.85; N, 6.60 Found: C, 45.01; H, 2.55; N, 6.42
References: [1] Patent: US2003/225127, 2003, A1, . Location in patent: Page 14 - 15.
 

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