1-Azido-2,5-dichloro-3,6-dimethyl-4-nitrobenzene

Base Information

• Chemical Name: 1-Azido-2,5-dichloro-3,6-dimethyl-4-nitrobenzene
• CAS No.: 120455-49-4
• Molecular Formula: C8H6Cl2N4O2
• Molecular Weight: 261.067
• DSSTox Substance ID: DTXSID00558854
• Wikidata: Q82441308

Synonyms:120455-49-4;1-Azido-2,5-dichloro-3,6-dimethyl-4-nitrobenzene;DTXSID00558854

Chemical Property of 1-Azido-2,5-dichloro-3,6-dimethyl-4-nitrobenzene

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 259.9867808
• Heavy Atom Count: 16
• Complexity: 329

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1Cl)[N+](=O)[O-])C)Cl)N=[N+]=[N-]

Technology Process of 1-Azido-2,5-dichloro-3,6-dimethyl-4-nitrobenzene

There total 1 articles about 1-Azido-2,5-dichloro-3,6-dimethyl-4-nitrobenzene 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: 33.8%

1,4-dichloro-2,5-dimethyl-3,6-dinitro-benzene (40115-57-9) → 1-azido-2,5-dichloro-3,6-dimethyl-4-nitrobenzene (120455-49-4)

Guidance literature:

With sodium azide; In dimethyl sulfoxide; at 90 ℃; for 0.5h;

Reference yield: 66.6%

1-azido-2,5-dichloro-3,6-dimethyl-4-nitrobenzene (120455-49-4) → 2,5-dichloro-3,6-dimethyl-4-nitroaniline (40331-38-2)

Guidance literature:

With mercaptoacetic acid; triethylamine; In ethanol; at 50 - 55 ℃; for 1h;

Reference yield: 63.3%

1-azido-2,5-dichloro-3,6-dimethyl-4-nitrobenzene (120455-49-4) + triphenylphosphine (603-35-0) → C26H21Cl2N2O2P (120455-60-9)

Guidance literature:

In dichloromethane; at 40 ℃; for 2h;

upstream raw materials:

1,4-dichloro-2,5-dimethyl-3,6-dinitro-benzene

Downstream raw materials:

2,5-dichloro-3,6-dimethyl-4-nitroaniline

2,5,2',5-tetrachloro-3,6,3',6'-tetramethyl-4,4'-dinitroazobenzene

C₂₆H₂₁Cl₂N₂O₂P

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