4-Chloro-2-(trifluoromethyl)quinoline

Base Information

• Chemical Name: 4-Chloro-2-(trifluoromethyl)quinoline
• CAS No.: 1701-24-2
• Molecular Formula: C10H5ClF3N
• Molecular Weight: 231.605
• Hs Code.: 2933499090
• European Community (EC) Number: 625-773-7
• DSSTox Substance ID: DTXSID40371544
• Nikkaji Number: J2.289.085I
• Wikidata: Q72460502
• Mol file: 1701-24-2.mol

Synonyms:4-Chloro-2-(trifluoromethyl)quinoline;1701-24-2;4-chloro-2-trifluoromethylquinoline;Quinoline, 4-chloro-2-(trifluoromethyl)-;MFCD00153105;4-chloro-2-trifluoromethyl-quinoline;SCHEMBL693661;DTXSID40371544;4-chloro-2-trifluoromethyl quinoline;2-(Trifluoromethyl)-4-chloroquinoline;AKOS009127774;PS-7702;SB68830;AC-24258;BP-11155;SY005988;4-Chloro-2-(trifluoromethyl)quinoline, 97%;CS-0001961;FT-0617990;EN300-27783;A811169

Chemical Property of 4-Chloro-2-(trifluoromethyl)quinoline

Chemical Property:

• Vapor Pressure: 0.0222mmHg at 25°C
• Melting Point: 31-33 °C
• Refractive Index: 1.55
• Boiling Point: 236.4 °C at 760 mmHg
• PKA: -1.19±0.50(Predicted)
• Flash Point: 96.8 °C
• PSA: 12.89000
• Density: 1.427 g/cm³
• LogP: 3.90700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4
• 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:

99% ^*data from raw suppliers

4-Chloro-2-(trifluoromethyl)quinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Chloro-2-(trifluoromethyl)quinoline

There total 4 articles about 4-Chloro-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: 90.0%

→ 4-chloro-2-(trifluoromethyl)quinoline (1701-24-2)

Guidance literature:

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

Reference yield: 84.0%

(1Z)-N-(2-ethynylphenyl)-2,2,2-trifluoroethanimidoyl chloride (1034269-67-4) → 4-chloro-2-(trifluoromethyl)quinoline (1701-24-2)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; tetrabutyl-ammonium chloride; sodium acetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In toluene; at 30 ℃; for 5h; Inert atmosphere;

DOI:10.1021/ol800512m

Reference yield:

2-(trifluoromethyl)quinolin-4-ol (1701-18-4) → 4-chloro-2-(trifluoromethyl)quinoline (1701-24-2)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; at 120 ℃;

upstream raw materials:

2-(trifluoromethyl)quinolin-4-ol

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

aniline

Downstream raw materials:

(2E/Z, 4E) N-Isobutyl 3-methyl-11-(2-trifluoromethyl-4-quinolinyloxy)undeca-2,4-dienamide

2-(trifluoromethyl)quinolin-4-ol

4-(3-ethynylphenoxy)-2-(trifluoromethyl)quinoline

4-azido-2-trifluoromethylquinoline

Refernces

• 1、 Alapour,Zamisa,Silva,Alves,Omondi,Ramjugernath,Koorbanally. "Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission". . p. 2316 - 2323. Retrieved 2018/04/30.
• 2、 Barlin, Gordon B.,Nguyen, Trang M. T.,Kotecka, Barbara,Rieckmann, Karl H.. "Potential Antimalarials. XVII. Di- and Mono-Mannich Bases of 2(and 4)-phenol". . p. 21 - 29. Retrieved 2007/10/02.