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Chemical Structure| 166047-16-1 Chemical Structure| 166047-16-1

Structure of 166047-16-1

Chemical Structure| 166047-16-1

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Product Details of [ 166047-16-1 ]

CAS No. :166047-16-1
Formula : C7H6BrN3O
M.W : 228.05
SMILES Code : O=C1N(C)C2=NC=C(Br)C=C2N1

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Application In Synthesis of [ 166047-16-1 ]

* 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 [ 166047-16-1 ]

[ 166047-16-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 89415-54-3 ]
  • [ 57-13-6 ]
  • [ 166047-16-1 ]
  • 2
  • [ 89415-54-3 ]
  • [ 530-62-1 ]
  • [ 166047-16-1 ]
YieldReaction ConditionsOperation in experiment
In tetrahydrofuran; N,N-dimethyl-formamide; at 20 - 60℃; for 32h; To a solution of <strong>[89415-54-3]5-bromo-N2-methylpyridine-2,3-diamine</strong> (14 g, 69 mmol) in DMF (702 mL) at room temperature was added CDI (29 g, 180 mmol). The reaction mixture was stirred for 16 h. LCMS analysis of the crude reaction mixture showed that the reaction was not complete, and the resultant residue was re-dissolved in THF and CDI (11.2, 69 mmol) was added. The reaction mixture was stirred at 60 C for 16 h. The reaction mixture was quenched with water and diluted with Et2O. The suspension was filtered and the resulting solid was washed with Et2O and dried under vacuum to yield the title compound as a black solid (15.8 g, 35.7 mmol), which was used in the next step without further purification. MS (ESI): mass calcd. for C7H6BrN3O, 226.97; m/z found, 227.0 [M+H]+.
 

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