N-Methyl-2,4-dinitro-N-phenylaniline

Base Information

• Chemical Name: N-Methyl-2,4-dinitro-N-phenylaniline
• CAS No.: 51226-44-9
• Molecular Formula: C13H11 N3 O4
• Molecular Weight: 273.248
• NSC Number: 106503
• DSSTox Substance ID: DTXSID20295951
• Nikkaji Number: J934.065C
• Wikidata: Q82036200
• Mol file: 51226-44-9.mol

Synonyms:51226-44-9;N-Methyl-2,4-dinitro-N-phenylaniline;N-Methyl-2,4-dinitrodiphenylamine;NSC106503;DTXSID20295951;GRJOQWGGWXHXQQ-UHFFFAOYSA-N;2,4-Dinitro-N,N-methylphenylamine;AKOS003439283;NSC-106503;N-Methyl-2,4-dinitro-N-phenylaniline #

Chemical Property of N-Methyl-2,4-dinitro-N-phenylaniline

Chemical Property:

• Vapor Pressure: 5.41E-08mmHg at 25°C
• Boiling Point: 441.5°Cat760mmHg
• Flash Point: 220.8°C
• Density: 1.382g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 273.07495584
• Heavy Atom Count: 20
• Complexity: 360

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of N-Methyl-2,4-dinitro-N-phenylaniline

There total 14 articles about N-Methyl-2,4-dinitro-N-phenylaniline 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: 30.0%

1-chloro-2,4-dinitro-benzene (97-00-7) + N-methylaniline (100-61-8) → N-methyl-2,4-dinitro-N-phenylaniline (51226-44-9)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; di(1-adamantyl)-4-(N,N-dimethyl)amino-phenyl-phosphane trifluoroacetic acid; sodium t-butanolate; In toluene; at 80 ℃; Sealed tube; Inert atmosphere;

DOI:10.1002/ejoc.201901834

Reference yield: 18.0%

→ N-methyl-2,4-dinitro-N-phenylaniline (51226-44-9)

Guidance literature:

With oxygen; sodium t-butanolate; In dimethyl sulfoxide; at 20 ℃; for 1h;

Reference yield:

N,N-dimethyl-aniline (121-69-7,77733-26-7) + 1-chloro-2,4-dinitro-benzene (97-00-7) → N-methyl-2,4-dinitro-N-phenylaniline (51226-44-9)

Guidance literature:

With zinc(II) chloride;

upstream raw materials:

2,4-Dinitrofluorobenzene

nitrobenzene

N-methylaniline

ethanol

Downstream raw materials:

bis-(2,4-dinitro-phenyl)-methyl-amine

(4-bromo-phenyl)-(2,4-dinitro-phenyl)-methyl-amine

methyl-dipicryl-amine

N¹-methyl-N¹-phenyl-benzene-1,2,4-triyltriamine