1-Nitro-9-aminoacridine

Base Information

• Chemical Name: 1-Nitro-9-aminoacridine
• CAS No.: 21914-54-5
• Molecular Formula: C13H9 N3 O2
• Molecular Weight: 239.233
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00176330
• Nikkaji Number: J83.116F
• Wikidata: Q83046667
• ChEMBL ID: CHEMBL25926
• Mol file: 21914-54-5.mol

Synonyms:1-nitro-9-aminoacridine

Chemical Property of 1-Nitro-9-aminoacridine

Chemical Property:

• Vapor Pressure: 1.05E-09mmHg at 25°C
• Boiling Point: 488.9°Cat760mmHg
• Flash Point: 249.5°C
• PSA: 85.46000
• Density: 1.449g/cm³
• LogP: 3.33170
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 239.069476538
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])N

Technology Process of 1-Nitro-9-aminoacridine

There total 2 articles about 1-Nitro-9-aminoacridine 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:

1-nitro-9-aminoacridine (21914-54-5) + benzyl vilogen cation radical (13096-46-3) → 1,1'-dibenzyl-4,4'-bipyridinium (13096-46-3) + 1-Nitro-acridin-9-ylamine (21914-54-5)

Guidance literature:

In isopropyl alcohol; Equilibrium constant; pH 7;

DOI:10.1021/jm00167a004

Reference yield:

1,1'-dibenzyl-4,4'-bipyridinium (13096-46-3) + 1-Nitro-acridin-9-ylamine (21914-54-5) → 1-nitro-9-aminoacridine (21914-54-5) + benzyl vilogen cation radical (13096-46-3)

Guidance literature:

In isopropyl alcohol; Equilibrium constant; pH 7;

DOI:10.1021/jm00167a004

Reference yield: 83.0%

1-nitro-9-aminoacridine (21914-54-5) + 2-((3-(3-oxo-3-phenylprop-1-yl)benzofuran-2-yl)oxy)-3-methylbutyric acid → 2-((3-(3-oxo-3-phenylpropyl)benzofuran-2-yl)oxy)-3-methyl-N-(1-nitro-acridin-9 -yl)butanamide

Guidance literature:

With toluene-4-sulfonic acid; Dean-Stark;

upstream raw materials:

1,1'-dibenzyl-4,4'-bipyridinium

benzyl vilogen cation radical

Downstream raw materials:

1,9-diaminoacridine

1,1'-dibenzyl-4,4'-bipyridinium

benzyl vilogen cation radical