2,6-dinitro-N-propyl-p-toluidin

Base Information

• Chemical Name: 2,6-dinitro-N-propyl-p-toluidin
• CAS No.: 2078-03-7
• Molecular Formula: C₁₀H₁₃N₃O₄
• Molecular Weight: 239.231
• UNII: 88U5KX5KL6
• Mol file: 2078-03-7.mol

Synonyms:88U5KX5KL6;2,6-dinitro-N-propyl-p-toluidin;2,6-dinitro-N-propyl-4-toluidine;p-Toluidine, 2,6-dinitro-N-propyl-;4-Methyl-2,6-dinitro-N-propylbenzenamine;Benzenamine, 4-methyl-2,6-dinitro-N-propyl-;2078-03-7

Chemical Property of 2,6-dinitro-N-propyl-p-toluidin

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 239.09060590
• Heavy Atom Count: 17
• Complexity: 262

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCNC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-]

Technology Process of 2,6-dinitro-N-propyl-p-toluidin

There total 2 articles about 2,6-dinitro-N-propyl-p-toluidin 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-methyl-2,6-dinitroaniline (6393-42-6) → 4-methyl-2,6-dinitro-N-propyl-aniline (2078-03-7)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaNO₂, H₂SO₄, (ii) CuCl, aq. HCl

2: Et₃N

With triethylamine;

DOI:10.1021/jo00892a012

Reference yield:

propylamine (107-10-8,42939-71-9) + toluene-4-sulfonic acid-(4-methyl-2,6-dinitro-phenyl ester) (5465-75-8) → 4-methyl-2,6-dinitro-N-propyl-aniline (2078-03-7)

Guidance literature:

Reference yield:

4-methyl-2,6-dinitro-N-propyl-aniline (2078-03-7) → 5-Methyl-N'-propyl-benzene-1,2,3-triamine (53369-86-1)

Guidance literature:

With hydrogenchloride; tin;

DOI:10.1021/jo00892a012

upstream raw materials:

propylamine

toluene-4-sulfonic acid-(4-methyl-2,6-dinitro-phenyl ester)

4-methyl-2,6-dinitroaniline

Downstream raw materials:

5-Methyl-N'-propyl-benzene-1,2,3-triamine