2-(Trifluoromethyl)-6-nitroquinoline

Base Information

• Chemical Name: 2-(Trifluoromethyl)-6-nitroquinoline
• CAS No.: 868662-62-8
• Molecular Formula: C₁₀H₅F₃N₂O₂
• Molecular Weight: 242.157
• DSSTox Substance ID: DTXSID00470623
• Nikkaji Number: J2.244.585E
• Wikidata: Q82298777
• Mol file: 868662-62-8.mol

Synonyms:6-nitro-2-(trifluoromethyl)quinoline;868662-62-8;2-(TRIFLUOROMETHYL)-6-NITROQUINOLINE;6-NITRO-2-TRIFLUOROMETHYLQUINOLINE;DTXSID00470623;AKOS000320172

Chemical Property of 2-(Trifluoromethyl)-6-nitroquinoline

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 316.682°C at 760 mmHg
• Flash Point: 145.324°C
• PSA: 58.71000
• Density: 1.494g/cm³
• LogP: 3.68500
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 242.03031189
• Heavy Atom Count: 17
• Complexity: 303

Purity/Quality:

99%+ ^*data from raw suppliers

6-NITRO-2-TRIFLUOROMETHYLQUINOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=N2)C(F)(F)F)C=C1[N+](=O)[O-]

Technology Process of 2-(Trifluoromethyl)-6-nitroquinoline

There total 5 articles about 2-(Trifluoromethyl)-6-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: 87.0%

1-iodo-3,3,4,4,4-pentafluorobutyl acetate + 4-nitro-aniline (100-01-6,104810-17-5) → 2-trifluoromethyl-6-nitroquinoline (868662-62-8)

Guidance literature:

In 1,2-dichloro-ethane; for 24h; Heating;

DOI:10.1021/jo050586d

Reference yield:

1-(4-methylphenylimino)-3-phenoxy-3-trifluoromethylprop-2-ene + 4-nitro-aniline (100-01-6,104810-17-5) → 2-trifluoromethyl-6-nitroquinoline (868662-62-8) + 6-methyl-2-(trifluoromethyl)quinoline (1860-47-5)

Guidance literature:

In dichloromethane; at 40 ℃; for 12h; Overall yield = 92 %;

DOI:10.1016/j.tet.2013.12.073

Reference yield:

1-phenylimino-3-phenoxy-3-trifluoromethylprop-2-ene (1548899-28-0) + 4-nitro-aniline (100-01-6,104810-17-5) → 2-trifluoromethyl-6-nitroquinoline (868662-62-8) + 2-trifluoromethyl-quinoline (347-42-2)

Guidance literature:

In dichloromethane; at 40 ℃; for 12h; Overall yield = 75 %;

DOI:10.1016/j.tet.2013.12.073

upstream raw materials:

4-nitro-aniline

1-phenylimino-3-phenoxy-3-trifluoromethylprop-2-ene