5,6-Dimethyl-8-nitroquinoline

Base Information

• Chemical Name: 5,6-Dimethyl-8-nitroquinoline
• CAS No.: 68527-68-4
• Molecular Formula: C11H10N2O2
• Molecular Weight: 202.213
• European Community (EC) Number: 271-275-4
• UNII: NCW3FX3SKP
• DSSTox Substance ID: DTXSID6071611
• Nikkaji Number: J309.153H
• Wikidata: Q81999322
• Mol file: 68527-68-4.mol

Synonyms:5,6-Dimethyl-8-nitroquinoline;68527-68-4;NCW3FX3SKP;Quinoline, 5,6-dimethyl-8-nitro-;EINECS 271-275-4;UNII-NCW3FX3SKP;DTXSID6071611;SCHEMBL11973643;QUINOLINE,5,6-DIMETHYL-8-NITRO-

Chemical Property of 5,6-Dimethyl-8-nitroquinoline

Chemical Property:

• Vapor Pressure: 1.47E-05mmHg at 25°C
• Refractive Index: 1.644
• Boiling Point: 377.4 °C at 760 mmHg
• Flash Point: 182 °C
• PSA: 58.71000
• Density: 1.254 g/cm³
• LogP: 3.28300
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 202.074227566
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C(=C1C)C=CC=N2)[N+](=O)[O-]

Technology Process of 5,6-Dimethyl-8-nitroquinoline

There total 5 articles about 5,6-Dimethyl-8-nitroquinoline 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: 51.0%

4,5-dimethyl-2-nitrobenzenamine (6972-71-0) + allyl alcohol (107-18-6) → 5,6-dimethyl-8-nitroquinoline (68527-68-4)

Guidance literature:

With dipotassium peroxodisulfate; oxygen; potassium iodide; In N,N-dimethyl acetamide; at 120 ℃; for 12h; under 760.051 Torr; Schlenk technique;

DOI:10.1002/chem.201703218

Reference yield:

4-amino-o-xylene (95-64-7) → 5,6-dimethyl-8-nitroquinoline (68527-68-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; nitric acid

2: arsenic (V)-oxide; aqueous sulfuric acid

With arsenic(V) oxide; sulfuric acid; nitric acid;

DOI:10.1021/ja01192a008

Reference yield:

4,5-dimethyl-2-nitrobenzenamine (6972-71-0) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 5,6-dimethyl-8-nitroquinoline (68527-68-4)

Guidance literature:

With arsenic(V) oxide; sulfuric acid;

DOI:10.1021/ja01192a008

upstream raw materials:

N-(4,5-dimethyl-2-nitrophenyl)acetamide

glycerol

4,5-dimethyl-2-nitrobenzenamine

4-amino-o-xylene

Downstream raw materials:

5,6-dimethyl-[8]quinolylamine

Refernces

• 1、 -. "Novel Sulfonaminoquinoline Hepcidin Antagonists". Page/Page column 128. . Retrieved 2012/09/05.