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5-Bromo-6-methoxybenzoimidazole

5-Bromo-6-methoxybenzoimidazole structure

5-Bromo-6-methoxybenzoimidazole 

structure
  • CAS No:

    1008361-65-6

  • Formula:

    C8H7BrN2O

  • Chemical Name:

    5-Bromo-6-methoxybenzoimidazole

  • Synonyms:

    5-Bromo-6-methoxy-1H-benzo[d]imidazole;5-BROMO-6-METHOXYBENZOIMIDAZOLE;6-bromo-5-methoxy-1H-benzimidazole;1H-Benzimidazole, 6-bromo-5-methoxy-;ACMC-2097sq;5-Bromo-6-methoxybenzimidazole;SCHEMBL3046760;SCHEMBL13137280;CTK8A8986;DTXSID40682061

  • Categories:

    Chemical Reagents  >  Organic Reagents

5-Bromo-6-methoxybenzoimidazole Basic Attributes

227.05798

225.974

DTXSID40682061

Characteristics

37.9

2.1

1.678±0.06 g/cm3(Predicted)

435.7±25.0 °C(Predicted)

5-Bromo-6-methoxybenzoimidazole Use and Manufacturing

Step 2: To a stirred mixture of 4-bromo-5-methoxybenzene-1, 2-diamine (3.8 g, 18 mmol) from Step 1 of thisExample and triethyl orthoformate (50 mL) was added formic acid (1 mL). The mixture was heated at reflux for 3 h, thenconcentrated under reduced pressure. The residue was partitioned between EtOAc (200 mL) and a 1 N aq Na2CO3(100 mL). The EtOAc layer was separated, washed with brine (100 mL), dried over Na2SO4, filtered, and concentrated under reduced pressure to afford 5-bromo-6-methoxy-1H-benzo[d]imidazole (4.0 g) as a brown oil. The material wasused in the next step without further purification. LCMS (ESI) m/z 228 and 230 (M+H)+.

Computed Properties

Molecular Weight:227.06
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:225.97418
Monoisotopic Mass:225.97418
Topological Polar Surface Area:37.9
Heavy Atom Count:12
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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