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Chemical Structure| 1388031-31-9 Chemical Structure| 1388031-31-9

Structure of 1388031-31-9

Chemical Structure| 1388031-31-9

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Product Details of [ 1388031-31-9 ]

CAS No. :1388031-31-9
Formula : C8H8BrN3
M.W : 226.07
SMILES Code : NC1=NC2=CC(C)=C(Br)C=C2N1

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Application In Synthesis of [ 1388031-31-9 ]

* 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 [ 1388031-31-9 ]

[ 1388031-31-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 506-68-3 ]
  • [ 102169-44-8 ]
  • [ 1388031-31-9 ]
YieldReaction ConditionsOperation in experiment
77% In water; acetonitrile; at 0 - 20℃; Step A6-bromo-5-m zol-2-[00228] A cooled 0 C solution of 4-bromo-5-methylbenzene-1 ,2-diamine (0.86 g, 4.28 mmol) in acetonitrile (4 mL) and water (2 mL) was treated with cyanogen bromine (0.498 g, 4.70 mmol). The reaction mixture was allowed to warm slowly to room temperature and stir overnight. The reaction mixture was partitioned between DCM (100 mL) a sat. NaHCC^ solution (100 mL) and water (20 mL). The organic layer was dried with Na2SC>4, filtered and concentrated to obtain a brown solid. 67-1 The aqueous layer was filtered to yield a light tan solid. The is^SC^ contained a tan solid as well. The salts were dissolved in water, sonicated then filtered to yield a pink solid. Spectra of the pink solid and the material from the aqueous filtration were comparable so the samples were combined to yield 6-bromo-5-methyl-1 H- benzo[d]imidazol-2-amine as a light tan solid (825 mg, 3.28 mmol, 77 % yield). 1H NMR (400 MHz, DMSO-d6) delta ppm 10.83 (br. s., 1 H) 7.21 - 7.40 (m, 1 H) 7.02 - 7.16 (m, 1 H) 6.67 (br. s., 2 H) 2.24 - 2.39 (m, 3 H). LCMS: m/z 225.9 (M+H+).
 

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