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

Base Information

• Chemical Name: 4,6-Dichloro-2-(trifluoromethyl)quinoline
• CAS No.: 18706-33-7
• Molecular Formula: C₁₀H₄Cl₂F₃N
• Molecular Weight: 266.05
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID80371669
• Nikkaji Number: J2.630.910G
• Wikidata: Q82159086
• Mol file: 18706-33-7.mol

Synonyms:4,6-dichloro-2-(trifluoromethyl)quinoline;18706-33-7;MFCD00276578;Quinoline,4,6-dichloro-2-(trifluoromethyl)-;SCHEMBL2709700;DTXSID80371669;AKOS009158882;AC-7388;PS-7320;SB69761;4,6-Dichloro-2-trifluoromethylquinoline;4.6-Dichloro-2-trifluoromethylquinoline;SY005993;2-(Trifluoromethyl)-4,6-dichloroquinoline;CS-0212504;FT-0617235;A813109

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

Chemical Property:

• Vapor Pressure: 0.0105mmHg at 25°C
• Melting Point: 104-107 °C
• Refractive Index: 1.567
• Boiling Point: 271.8 °C at 760 mmHg
• Flash Point: 118.2 °C
• PSA: 12.89000
• Density: 1.527 g/cm³
• LogP: 4.56040
• XLogP3: 4.4
• 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:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)C(=CC(=N2)C(F)(F)F)Cl

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

There total 2 articles about 4,6-Dichloro-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: 87.0%

(1Z)-N-(4-chloro-2-ethynylphenyl)-2,2,2-trifluoroethanimidoyl chloride (1034269-75-4) → 4,6-dichloro-2-(trifluoromethyl)quinoline (18706-33-7)

Guidance literature:

With [2,2]bipyridinyl; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; tetrabutyl-ammonium chloride; sodium acetate; In toluene; at 30 ℃; for 5h; Inert atmosphere;

DOI:10.1021/ol800512m

Reference yield:

→ 4,6-dichloro-2-(trifluoromethyl)quinoline (18706-33-7)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; at 100 ℃; for 3h; Inert atmosphere;

upstream raw materials:

(1Z)-N-(4-chloro-2-ethynylphenyl)-2,2,2-trifluoroethanimidoyl chloride

Refernces

• 1、 Isobe, Akira,Takagi, Jun,Katagiri, Toshimasa,Uneyama, Kenji. "Palladium-catalyzed chloroimination of imidoyl chlorides to a triple bond: An intramolecular reaction leading to 4-chloroquinolines". supporting information; experimental part. p. 2657 - 2659. Retrieved 2009/05/27.