2-Chloroquinoxaline-1-oxide

Base Information

• Chemical Name: 2-Chloroquinoxaline-1-oxide
• CAS No.: 5227-57-6
• Molecular Formula: C8H5ClN2O
• Molecular Weight: 180.593
• DSSTox Substance ID: DTXSID00482887
• Mol file: 5227-57-6.mol

Synonyms:2-chloroquinoxaline-1-oxide;2-chloroquinoxaline 1-oxide;5227-57-6;SCHEMBL11710268;DTXSID00482887;BLJRCNDVGFSQOX-UHFFFAOYSA-N

Chemical Property of 2-Chloroquinoxaline-1-oxide

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 180.0090405
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=CC(=[N+]2[O-])Cl

Technology Process of 2-Chloroquinoxaline-1-oxide

There total 2 articles about 2-Chloroquinoxaline-1-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: 66.0%

2-chloroquinoxaline (1448-87-9) → 2-chloroquinoxaline-1-oxide (5227-57-6) + 3-chloroquinoxaline 1-oxide (5227-59-8) + 2-chloroquinoxaline N,N'-dioxide (50473-32-0)

Guidance literature:

With dipotassium peroxodisulfate; sulfuric acid; at 20 ℃; for 18h;

DOI:10.1016/j.tetlet.2010.07.148

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + quinoxaline 1,4-di-N-oxide (2423-66-7) → quinoxaline-N-oxide (6935-29-1) + 2-chloroquinoxaline-1-oxide (5227-57-6) + quinoxaline-2,3-dione (15804-19-0,6287-20-3)

Guidance literature:

UV-Licht_.Irradiation;

DOI:10.1039/jr9530002830 DOI:10.1039/j39660000157

Reference yield:

2-chloroquinoxaline-1-oxide (5227-57-6) → 2-Cyano-1-hydroxybenzimidazole (40159-90-8)

Guidance literature:

Multi-step reaction with 2 steps

1: NaN₃, HCl / acetone; H₂O / 72 h / Ambient temperature

2: 87 percent

With hydrogenchloride; sodium azide; In water; acetone;

DOI:10.1021/jo01314a020

upstream raw materials:

hydrogenchloride

quinoxaline 1,4-di-N-oxide

2-chloroquinoxaline

Downstream raw materials:

2-Cyano-1-hydroxybenzimidazole