2-Methyl-4-nitroquinoline 1-oxide

Base Information

• Chemical Name: 2-Methyl-4-nitroquinoline 1-oxide
• CAS No.: 4831-62-3
• Molecular Formula: C10H8N2O3
• Molecular Weight: 204.185
• NSC Number: 144470,19646
• UNII: Y8LXX7Q5PC
• DSSTox Substance ID: DTXSID40197488
• Wikidata: Q83070336
• ChEMBL ID: CHEMBL1364999
• Mol file: 4831-62-3.mol

Synonyms:2-methyl-4-nitroquinoline 1-oxide;2-methyl-4-nitroquinoline-N-oxide

Chemical Property of 2-Methyl-4-nitroquinoline 1-oxide

Chemical Property:

• Melting Point: 157°C (rough estimate)
• Refractive Index: 1.5910 (estimate)
• Boiling Point: 342.67°C (rough estimate)
• PSA: 71.28000
• Density: 1.3244 (rough estimate)
• LogP: 3.00810
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 204.05349212
• Heavy Atom Count: 15
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

2-METHYL-4-NITROQUINOLINE-1-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=[N+](C2=CC=CC=C2C(=C1)[N+](=O)[O-])[O-]

Technology Process of 2-Methyl-4-nitroquinoline 1-oxide

There total 5 articles about 2-Methyl-4-nitroquinoline 1-oxide 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:

2-methylquinoline N-oxide (1076-28-4) → 2-methyl-4-nitro-quinoline-1-oxide (4831-62-3)

Guidance literature:

With sulfuric acid; potassium nitrate;

Reference yield:

2-methylquinoline (91-63-4) → 2-methyl-4-nitro-quinoline-1-oxide (4831-62-3)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O₂ / acetic acid; H₂O

2: nitric acid; sulfuric acid

With sulfuric acid; dihydrogen peroxide; nitric acid; In water; acetic acid;

DOI:10.1016/j.tetlet.2006.09.140

Reference yield:

2-methylquinoline N-oxide (1076-28-4) + sulfuric acid (7664-93-9) → 2-methyl-4-nitro-quinoline-1-oxide (4831-62-3) + 2-methyl-4,8-dinitro-quinoline-1-oxide (658702-55-7)

Guidance literature:

at -5 ℃;

upstream raw materials:

2-methylquinoline N-oxide

sulfuric acid

2-methylquinoline

Downstream raw materials:

4-chloro-2-methylquinoline 1-oxide

4-amino-2-methylquinoline

2-methylquinoline

2-methyl-4-nitroquinoline

Refernces

• 1、 Zhou, Yu,Li, Jian,Liu, Hong,Zhao, Linxiang,Jiang, Hualiang. "An unusual de-nitro reduction of 2-substituted-4-nitroquinolines". . p. 8511 - 8514. Retrieved 2007/10/03.