2,4-Dichloro-6-(trifluoromethyl)quinoline

Base Information

• Chemical Name: 2,4-Dichloro-6-(trifluoromethyl)quinoline
• CAS No.: 852203-17-9
• Molecular Formula: C₁₀H₄Cl₂F₃N
• Molecular Weight: 266.05
• DSSTox Substance ID: DTXSID80457694
• Wikidata: Q82280638
• Mol file: 852203-17-9.mol

Synonyms:2,4-dichloro-6-(trifluoromethyl)quinoline;852203-17-9;C10H4Cl2F3N;SCHEMBL14690650;DTXSID80457694;LVTJXMPINPVNGM-UHFFFAOYSA-N;MFCD08234682;AKOS015851262;DS-6329;SB71506;CS-0041305;A863645

Chemical Property of 2,4-Dichloro-6-(trifluoromethyl)quinoline

Chemical Property:

• Melting Point: 98-100 °C(Solv: ethanol (64-17-5))
• Boiling Point: 294.7±35.0 °C(Predicted)
• PKA: -2.25±0.50(Predicted)
• PSA: 12.89000
• Density: 1.527±0.06 g/cm3(Predicted)
• LogP: 4.56040
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 264.9672890
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

97% ^*data from raw suppliers

2,4-Dichloro-6-(trifluoromethyl)quinoline 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(F)(F)F)C(=CC(=N2)Cl)Cl

Technology Process of 2,4-Dichloro-6-(trifluoromethyl)quinoline

There total 7 articles about 2,4-Dichloro-6-(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: 81.0%

6-(trifluoromethyl)-4-hydroxyquinolin-2(1H)-one (852203-16-8) → 2,4-dichloro-6-(trifluoromethyl)quinoline (852203-17-9)

Guidance literature:

With trichlorophosphate; In 1,4-dioxane; at 120 ℃; for 0.25h; microwave irradiation;

DOI:10.1021/jo0502549

Reference yield: 25.0%

2-ethynyl-4-(trifluoromethyl)aniline (878133-02-9) + trichloromethyl chloroformate (503-38-8) → 2,4-dichloro-6-(trifluoromethyl)quinoline (852203-17-9)

Guidance literature:

In acetonitrile; at 150 ℃; for 12h;

DOI:10.1055/s-2005-922790

Reference yield:

2,2,2-trifluoro-N-(2-iodo-4-(trifluoromethyl)phenyl)acetamide (878133-04-1) → 2,4-dichloro-6-(trifluoromethyl)quinoline (852203-17-9)

Guidance literature:

Multi-step reaction with 4 steps

1: aq. K₂CO₃ / methanol / 24 h / 50 °C

2: CuI; Et₃N / PdCl₂(PPh₃)2 / tetrahydrofuran / 1 h / 20 °C

3: TBAF / tetrahydrofuran / 0 - 20 °C

4: 25 percent / acetonitrile / 12 h / 150 °C

With copper(l) iodide; tetrabutyl ammonium fluoride; potassium carbonate; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; methanol; acetonitrile; 2: Sonogashira reaction;

DOI:10.1055/s-2005-922790

upstream raw materials:

6-(trifluoromethyl)-4-hydroxyquinolin-2(1H)-one

2-ethynyl-4-(trifluoromethyl)aniline

trichloromethyl chloroformate

2,2,2-trifluoro-N-(2-iodo-4-(trifluoromethyl)phenyl)acetamide

Downstream raw materials:

3-bromo-4-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)quinolin-2(1H)-one

ethyl 3-[4-(5-chloro-2-methoxyphenyl)-6-trifluoromethyl-1,2-dihydro-2-oxoquinolin-3-yl]acrylate

4-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)quinolin-2(1H)-one

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