n-(3-Acetyl-4-nitrophenyl)acetamide

Base Information

• Chemical Name: n-(3-Acetyl-4-nitrophenyl)acetamide
• CAS No.: 6637-18-9
• Molecular Formula: C10H10 N2 O4
• Molecular Weight: 222.2
• NSC Number: 52074
• DSSTox Substance ID: DTXSID50287662
• Wikidata: Q82023766
• Mol file: 6637-18-9.mol

Synonyms:6637-18-9;n-(3-acetyl-4-nitrophenyl)acetamide;NSC52074;SCHEMBL8980342;DTXSID50287662;NSC-52074

Chemical Property of n-(3-Acetyl-4-nitrophenyl)acetamide

Chemical Property:

• Vapor Pressure: 2.6E-09mmHg at 25°C
• Boiling Point: 478.3°Cat760mmHg
• Flash Point: 243.1°C
• Density: 1.339g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 222.06405680
• Heavy Atom Count: 16
• Complexity: 310

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of n-(3-Acetyl-4-nitrophenyl)acetamide

There total 2 articles about n-(3-Acetyl-4-nitrophenyl)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:

3-Acetamidoacetophenone (7463-31-2) → 5-acetamido-2-nitroacetophenone (6637-18-9)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1021/jo01174a018

Reference yield:

3-Acetamidoacetophenone (7463-31-2) → N-(3-acetyl-2-nitrophenyl)acetamide (92642-18-7) + 5-acetamido-2-nitroacetophenone (6637-18-9) + N-(5-acetyl-2-nitrophenyl)acetamide (92642-17-6)

Guidance literature:

With nitric acid; at 0 ℃; for 0.25h;

DOI:10.1002/jlcr.2580360312

Reference yield:

5-acetamido-2-nitroacetophenone (6637-18-9) → 3-amino-6-nitroacetophenone (16994-13-1)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jo01174a018

upstream raw materials:

3-Acetamidoacetophenone

Downstream raw materials:

3-amino-6-nitroacetophenone

2-amino-5-acetamidoacetophenone

5-chloro-2-nitroacetophenone

3-acetyl-4-aminobenzonitrile