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Chemical Structure| 206759-50-4 Chemical Structure| 206759-50-4

Structure of 206759-50-4

Chemical Structure| 206759-50-4

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Product Details of [ 206759-50-4 ]

CAS No. :206759-50-4
Formula : C7H4BrN3O2
M.W : 242.03
SMILES Code : O=[N+](C1=CC(Br)=C2C(N=CN2)=C1)[O-]
MDL No. :MFCD14666504

Safety of [ 206759-50-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H315-H319-H332-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 [ 206759-50-4 ]

* 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 [ 206759-50-4 ]

[ 206759-50-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 261952-16-3 ]
  • [ 206759-50-4 ]
  • [ 1443541-20-5 ]
YieldReaction ConditionsOperation in experiment
30.2% With potassium carbonate; In N,N-dimethyl-formamide; at 60℃; for 1h; b) 4-bromo-1-(2-methyl-3-(trifluoromethyl)benzyl)-6-nitro-1H-benzo[d]imidazole Into a 250 mL round bottomed flask charged with 4-bromo-6-nitro-1H-benzo[d]imidazole (5 g, 20.66 mmol) in N,N-Dimethylformamide (DMF) (100 mL) was added <strong>[261952-16-3]1-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene</strong> (7.84 g, 31.0 mmol) and potassium carbonate (8.57 g, 62.0 mmol). The resulting reaction mixture was stirred 1 h at 60 C., cooled to room temperature and poured into water, extracted with ethyl acetate, washed with water, brine, dried (MgSO4) and evaporated. The residue was purified on a silica gel cartridge and eluted with a gradient of 0% ethyl acetate/hexanes to 80% over 10 column volumes. The expected compound was collected and evaporated to yield 4-bromo-1-(2-methyl-3-(trifluoromethyl)benzyl)-6-nitro-1H-benzo[d]imidazole (2.58 g, 6.23 mmol, 30.2% yield) as a tan solid. 1H NMR (400 MHz, CHLOROFORM-d) δ ppm 2.47 (s, 3H) 5.52 (s, 2H) 7.02 (d, J=7.58 Hz, 1H) 7.27-7.37 (m, 1H) 7.72 (d, J=8.08 Hz, 1H) 8.12 (s, 1H) 8.25 (d, J=2.02 Hz, 1H) 8.48 (d, 1H); LC/MS: MS (ES+) m/e 415 [M+H]+.
 

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