5-Bromo-6-methoxy-1H-benzo[d]imidazole

Base Information

• Chemical Name: 5-Bromo-6-methoxy-1H-benzo[d]imidazole
• CAS No.: 1008361-65-6
• Molecular Formula: C₈H₇BrN₂O
• Molecular Weight: 227.06
• Hs Code.: 2933299090
• DSSTox Substance ID: DTXSID40682061
• Wikidata: Q82606312
• Mol file: 1008361-65-6.mol

Synonyms:5-Bromo-6-methoxy-1H-benzo[d]imidazole;1008361-65-6;5-BROMO-6-METHOXYBENZOIMIDAZOLE;6-bromo-5-methoxy-1H-benzimidazole;1H-Benzimidazole, 6-bromo-5-methoxy-;SCHEMBL3046760;SCHEMBL13137280;DTXSID40682061;BAAJXZAAZDCTGW-UHFFFAOYSA-N;5-Bromo-6-methoxy-1H-benzimidazole;MFCD18783164;AKOS015888564;AKOS015999431;FS-3542;5-bromo-6-(methyloxy)-1H-benzimidazole;5-bromo-6-methoxy-1H-1,3-benzodiazole;CS-0034586;A897325

Chemical Property of 5-Bromo-6-methoxy-1H-benzo[d]imidazole

Chemical Property:

• Boiling Point: 435.7±25.0 °C(Predicted)
• PKA: 12.43±0.30(Predicted)
• Density: 1.678±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 225.97418
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

99%, ^*data from raw suppliers

5-Bromo-6-methoxybenzoimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)N=CN2)Br

Technology Process of 5-Bromo-6-methoxy-1H-benzo[d]imidazole

There total 6 articles about 5-Bromo-6-methoxy-1H-benzo[d]imidazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

4-bromo-5-methoxy-1,2-phenylenediamine (108447-01-4) + orthoformic acid triethyl ester (122-51-0) → 5-bromo-6-methoxy-1H-benzo[d]imidazole (1008361-65-6)

Guidance literature:

With formic acid; at 90 ℃; for 3h; Inert atmosphere;

Reference yield: 49.0%

6-methoxy-1H-benzo[d]imidazole (4887-80-3) → 5-bromo-6-methoxy-1H-benzo[d]imidazole (1008361-65-6)

Guidance literature:

With sodium anthraquinone-2-sulfonate; oxygen; trifluoroacetic acid; sodium bromide; In water; acetonitrile; at 20 ℃; for 4h; regioselective reaction; Irradiation; Sealed tube;

DOI:10.1002/adsc.201701276

Reference yield:

5-methoxy-1H-benzimidazole (4887-80-3) → 4-Bromo-5-(methyloxy)-1H-benzimidazole (1008361-66-7) + 5-bromo-6-methoxy-1H-benzo[d]imidazole (1008361-65-6)

Guidance literature:

With bromine; potassium acetate; In water; at 20 ℃; for 4h;

upstream raw materials:

5-methoxy-1H-benzimidazole

formic acid

4-bromo-5-methoxy-1,2-phenylenediamine

4-bromo-5-methoxy-2-nitrobenzeneamine

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