Benzonitrile, 2-bromo-6-methoxy-, N-oxide

Base Information

• Chemical Name: Benzonitrile, 2-bromo-6-methoxy-, N-oxide
• CAS No.: 579488-90-7
• Molecular Formula: C8H6BrNO2
• Molecular Weight: 228.045
• DSSTox Substance ID: DTXSID70463401
• Nikkaji Number: J1.890.225G
• Wikidata: Q82288271

Synonyms:Benzonitrile, 2-bromo-6-methoxy-, N-oxide;579488-90-7;DTXSID70463401

Chemical Property of Benzonitrile, 2-bromo-6-methoxy-, N-oxide

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 226.95819
• Heavy Atom Count: 12
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC=C1)Br)C#[N+][O-]

Technology Process of Benzonitrile, 2-bromo-6-methoxy-, N-oxide

There total 1 articles about Benzonitrile, 2-bromo-6-methoxy-, N-oxide 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: 99.0%

2-bromo-6-methoxy-benzaldehyde oxime → 2-bromo-6-methoxybenzonitrile N-oxide (579488-90-7)

Guidance literature:

With N-chloro-succinimide; triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1016/S0040-4039(03)00614-2

Reference yield: 92.0%

ethyl acetoacetate (141-97-9) + 2-bromo-6-methoxybenzonitrile N-oxide (579488-90-7) → C14H14BrNO4

Guidance literature:

With 4 A molecular sieve; In isopropyl alcohol; at 50 ℃; for 1.5h;

DOI:10.1055/s-2007-985561

Reference yield: 87.0%

1,3-cylohexanedione (504-02-9) + 2-bromo-6-methoxybenzonitrile N-oxide (579488-90-7) → 3-(2-bromo-6-methoxy-phenyl)-6,7-dihydro-5H-benzo[d]isoxazol-4-one

Guidance literature:

With triethylamine; In ethanol; at 20 ℃; for 16h; Further Variations:; Reagents; Solvents; reagent amount, reaction time; Product distribution;

DOI:10.1016/S0040-4039(03)00614-2

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