3,4-Dimethyl-2,6-Dinitroaniline

Base Information

• Chemical Name: 3,4-Dimethyl-2,6-Dinitroaniline
• CAS No.: 40318-31-8
• Molecular Formula: C8H9N3O4
• Molecular Weight: 211.177
• European Community (EC) Number: 818-615-5
• Nikkaji Number: J372.627D
• Mol file: 40318-31-8.mol

Synonyms:3,4-Dimethyl-2,6-Dinitroaniline;40318-31-8;3,4-Dimethyl-2,6-dinitro-phenylamine;SCHEMBL5203798;MHTNLJYRURGLAC-UHFFFAOYSA-N;MFCD08437474;CS-0235778;EN300-1608856

Chemical Property of 3,4-Dimethyl-2,6-Dinitroaniline

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 211.05930578
• Heavy Atom Count: 15
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C)[N+](=O)[O-])N)[N+](=O)[O-]

Technology Process of 3,4-Dimethyl-2,6-Dinitroaniline

There total 9 articles about 3,4-Dimethyl-2,6-Dinitroaniline 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:

4-amino-o-xylene (95-64-7) → 3,4-dimethyl-2,6-dinitroaniline (40318-31-8)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine / 1 h

2: 85 percent / aq. nitric acid; acetic acid; sodium nitrite / 2 h / Heating

3: aq. sulfuric acid / 24 h

With sulfuric acid; nitric acid; acetic acid; sodium nitrite; In pyridine;

Reference yield:

(3,4-dimethyl-2,6-dinitro-phenyl)-carbamic acid ethyl ester (40318-30-7) → 3,4-dimethyl-2,6-dinitroaniline (40318-31-8)

Guidance literature:

With sulfuric acid; at 120 ℃;

Reference yield:

2,6-dinitro-3,4-dimethylphenol (4097-61-4) → 3,4-dimethyl-2,6-dinitroaniline (40318-31-8)

Guidance literature:

With ammonia; water; ammonium chloride;

DOI:10.1021/ja01161a043

upstream raw materials:

1,2-dimethyl-3,4,5-trinitro-benzene

2,6-dinitro-3,4-dimethylphenol

(3,4-dimethyl-2,6-dinitro-phenyl)-carbamic acid ethyl ester

N-(3,4-dimethyl-2,6-dinitrophenyl)methanesulfonamide

Downstream raw materials:

1-Chloro-3,4-dimethyl-2,6-dinitrobenzene

3,4-dimethyl-2,6-dinitro-N,N-di-n-propylaniline

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