2-(Trifluoromethyl)quinoline

Base Information

• Chemical Name: 2-(Trifluoromethyl)quinoline
• CAS No.: 347-42-2
• Molecular Formula: C10H6F3N
• Molecular Weight: 197.16
• Hs Code.: 29334900
• European Community (EC) Number: 662-907-3
• DSSTox Substance ID: DTXSID10380663
• Nikkaji Number: J921.934J
• Wikidata: Q72512881
• Mol file: 347-42-2.mol

Synonyms:2-(trifluoromethyl)quinoline;347-42-2;2-trifluoromethylquinoline;MFCD01862002;2-Trifluoromethyl-quinoline;(trifluoromethyl)quinoline;SCHEMBL873852;DTXSID10380663;2-(Trifluoromethyl)quinoline, 97%;BBL101027;STL554821;TD8148;AKOS000320169;SB36752;DS-17173;AM20051100;FT-0651356;A25656;EN300-101411;Q-103521

Chemical Property of 2-(Trifluoromethyl)quinoline

Chemical Property:

• Vapor Pressure: 0.123mmHg at 25°C
• Melting Point: 58-62℃
• Refractive Index: 1.54
• Boiling Point: 226.41 °C at 760 mmHg
• PKA: 0.32±0.48(Predicted)
• Flash Point: 90.73 °C
• PSA: 12.89000
• Density: 1.312 g/cm³
• LogP: 3.25360
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 197.04523368
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

97% ^*data from raw suppliers

2-(Trifluoromethyl)quinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25-36/37/38-20/21/22
• Safety Statements: 26-45-36/37-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC(=N2)C(F)(F)F

Technology Process of 2-(Trifluoromethyl)quinoline

There total 7 articles about 2-(Trifluoromethyl)quinoline 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: 85.0%

3-trifluoromethyl-3-phenoxypropenal + aniline (62-53-3) → 2-trifluoromethyl-quinoline (347-42-2) + 1-trifluoromethyl-3-(phenylamino)prop-2-en-1-one (134219-71-9,34648-02-7)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 4h; Time; Reflux;

DOI:10.1016/j.tet.2013.12.073

Reference yield: 50.0%

3-trifluoromethyl-3-phenoxypropenal + aniline (62-53-3) → 3-trifluoromethyl-1-phenylamino-3-phenyliminopropene + 2-trifluoromethyl-quinoline (347-42-2) + 1-phenylimino-3-phenoxy-3-trifluoromethylprop-2-ene (1548899-28-0) + 1-trifluoromethyl-3-(phenylamino)prop-2-en-1-one (134219-71-9,34648-02-7)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 2h; Time; Reflux;

DOI:10.1016/j.tet.2013.12.073

Reference yield: 21.0%

1-trifluoromethyl-3-(phenylamino)prop-2-en-1-one (134219-71-9,34648-02-7) → 4-(trifluoromethyl)quinoline (25199-77-3) + 2-trifluoromethyl-quinoline (347-42-2)

Guidance literature:

With PPA; at 165 ℃; for 3h;

DOI:10.1016/S0040-4039(00)94673-2

upstream raw materials:

1-trifluoromethyl-3-(phenylamino)prop-2-en-1-one

aniline

p-toluidine

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

Downstream raw materials:

2-(trifluoromethyl)quinoline-4-carboxylic acid

2-trifluoromethyl-8-quinolinecarboxylic acid

2-trifluoromethyl-3-quinolinecarboxylic acid

C₁₀H₈F₃NO₄