4-Chloro-6-(trifluoromethyl)quinoline

Base Information

• Chemical Name: 4-Chloro-6-(trifluoromethyl)quinoline
• CAS No.: 49713-56-6
• Molecular Formula: C10H5ClF3N
• Molecular Weight: 231.605
• Hs Code.: 2933499090
• European Community (EC) Number: 670-844-8
• DSSTox Substance ID: DTXSID00371545
• Nikkaji Number: J2.289.081F
• Wikidata: Q72460508
• Mol file: 49713-56-6.mol

Synonyms:4-chloro-6-(trifluoromethyl)quinoline;49713-56-6;4-chloro-6-trifluoromethylquinoline;MFCD00153106;SCHEMBL317086;DTXSID00371545;AMY13685;4-Chloro-6-trifluoromethyl-quinoline;AKOS005198905;CS-W012946;PS-7703;SB71719;BP-11149;SY035686;BB 0241046;FT-0618127;FT-0618140;A18813;EN300-629962;4-Chloro-6-trifluoromethylquinoline, AldrichCPR

Chemical Property of 4-Chloro-6-(trifluoromethyl)quinoline

Chemical Property:

• Vapor Pressure: 0.174mmHg at 25°C
• Melting Point: 48 °C
• Refractive Index: 1.359
• Boiling Point: 265.51 °C at 760 mmHg
• PKA: 2.45±0.16(Predicted)
• Flash Point: 114.377 °C
• PSA: 12.89000
• Density: 1.428 g/cm³
• LogP: 3.90700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 231.0062613
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

98%Min ^*data from raw suppliers

4-Chloro-6-(trifluoromethyl)quinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 36/37/38-36-25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NC=CC(=C2C=C1C(F)(F)F)Cl

Technology Process of 4-Chloro-6-(trifluoromethyl)quinoline

There total 8 articles about 4-Chloro-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: 95.0%

4-chloro-6-iodo-quinoline (40107-07-1) + (trifluoromethyl)trimethylsilane (81290-20-2) → 4-chloro-6-(trifluoromethyl)quinoline (49713-56-6)

Guidance literature:

With potassium fluoride; copper(l) iodide; 1,10-Phenanthroline; Trimethyl borate; In dimethyl sulfoxide; at 60 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ol501967c

Reference yield: 31.0%

4-hydroxy-6-(trifluoromethyl)quinoline (49713-51-1) → 4-chloro-6-(trifluoromethyl)quinoline (49713-56-6)

Guidance literature:

With trichlorophosphate; In 1,4-dioxane; at 90 ℃; for 1.5h;

DOI:10.1021/acs.jmedchem.1c01951

Reference yield: 31.0%

→ 4-chloro-6-(trifluoromethyl)quinoline (49713-56-6)

Guidance literature:

With trichlorophosphate; In 1,4-dioxane; at 90 ℃; for 1.5h;

upstream raw materials:

4-hydroxy-6-(trifluoromethyl)quinoline

2,2-dimethyl-5-[[4-(trifluoromethyl)anilino]methylene]-1,3-dioxane-4,6-dione

ethyl 4-oxo-6-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate

C₁₀H₆F₃NO

Downstream raw materials:

6-(trifluoromethyl)quinoline-4-thiol

6-(trifluoromethyl)quinoline-4-carbaldehyde

Refernces

• 1、 -. "QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19". Paragraph 0108; 0117-0118; 0122. . Retrieved 2020/03/09.
• 2、 -. "CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF". Paragraph 0136-0137. . Retrieved 2016/05/24.