N-(2-Methyl-3,5-dinitrophenyl)acetamide

Base Information

• Chemical Name: N-(2-Methyl-3,5-dinitrophenyl)acetamide
• CAS No.: 3484-26-2
• Molecular Formula: C₉H₉N₃O₅
• Molecular Weight: 239.188
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00546034
• Nikkaji Number: J1.140.018C
• Wikidata: Q82423731
• Mol file: 3484-26-2.mol

Synonyms:3484-26-2;N-(2-Methyl-3,5-dinitrophenyl)acetamide;N-ACETYL-2-METHYL-3,5-DINITROANILINE;N-Acetyl-2-methyl-3,5-dinitroanilin;DTXSID00546034

Chemical Property of N-(2-Methyl-3,5-dinitrophenyl)acetamide

Chemical Property:

• PSA: 124.23000
• LogP: 3.46570
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 239.05422040
• Heavy Atom Count: 17
• Complexity: 335

Purity/Quality:

98% ^*data from raw suppliers

N-ACETYL-2-METHYL-3,5-DINITROANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)C

Technology Process of N-(2-Methyl-3,5-dinitrophenyl)acetamide

There total 4 articles about N-(2-Methyl-3,5-dinitrophenyl)acetamide 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: 65.0%

2-amino-4,6-dinitrotoluene (35572-78-2) + acetyl chloride (75-36-5) → N-acetyl-2-amino-4,6-dinitrotoluene (3484-26-2)

Guidance literature:

In pyridine; for 0.666667h; Heating;

DOI:10.1021/jo00367a003

Reference yield:

2-amino-4,6-dinitrotoluene (35572-78-2) + 3, 5-dinitroaniline (618-87-1) → N-acetyl-2-amino-4,6-dinitrotoluene (3484-26-2)

Guidance literature:

In tetrahydrofuran; N-methyl-acetamide;

Reference yield:

N,N-bis-benzenesulfonyl-2-methyl-3,5-dinitro-aniline → N-acetyl-2-amino-4,6-dinitrotoluene (3484-26-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous sulfuric acid

2: pyridine

With pyridine; sulfuric acid;

upstream raw materials:

2-amino-4,6-dinitrotoluene

acetic anhydride

acetyl chloride

3, 5-dinitroaniline