4-CHLORO-8-(TRIFLUOROMETHYL)QUINOLINE

Base Information

• Chemical Name: 4-CHLORO-8-(TRIFLUOROMETHYL)QUINOLINE
• CAS No.: 23779-97-7
• Molecular Formula: C10H5ClF3N
• Molecular Weight: 231.605
• Hs Code.: 29334900
• European Community (EC) Number: 245-880-9
• UNII: RP9B5YHT9M
• DSSTox Substance ID: DTXSID70178467
• Nikkaji Number: J242.680C
• Wikidata: Q72460506
• Mol file: 23779-97-7.mol

Synonyms:4-Chloro-8-(Trifluoromethyl)Quinoline

Chemical Property of 4-CHLORO-8-(TRIFLUOROMETHYL)QUINOLINE

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.0947mmHg at 25°C
• Melting Point: 80-82 °C(lit.)
• Refractive Index: 1.402
• Boiling Point: 265.5 °C at 760 mmHg
• Flash Point: 114.4 °C
• PSA: 12.89000
• Density: 1.427 g/cm³
• LogP: 3.90700
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform, Methanol
• Water Solubility.: Low solubility in water.
• XLogP3: 3.1
• 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:

97% ^*data from raw suppliers

4-Chloro-8-(trifluoromethyl)quinoline 98% ^*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

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)Cl
• Uses: 4-Chloro-8-(trifluoromethyl)quinoline is used as a reagent for the potent CRTh2 (DP2) receptor antagonists discovery which is used for treatment of asthma, allergic rhinitis and other inflammatory diseases.

Technology Process of 4-CHLORO-8-(TRIFLUOROMETHYL)QUINOLINE

There total 18 articles about 4-CHLORO-8-(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%

8-(trifluoromethyl)quinoline-4(1H)-one (93919-57-4,23779-96-6) → 4-chloro-8-(trifluoromethyl)quinoline (23779-97-7)

Guidance literature:

With trichlorophosphate; at 100 ℃; for 0.25h; Inert atmosphere;

DOI:10.1002/cctc.201701596

Reference yield:

β-(o-trifluoromethylanilino)-propanoic acid (71002-49-8) → 4-chloro-8-(trifluoromethyl)quinoline (23779-97-7)

Guidance literature:

With iodine; sodium hydrogensulfite; In water;

Reference yield:

2-(trifluoromethyl)benzenamine (88-17-5) → 4-chloro-8-(trifluoromethyl)quinoline (23779-97-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 0.67 h / 100 °C

2: diphenylether / 0.5 h / 250 °C / Inert atmosphere

3: trichlorophosphate / 0.25 h / 100 °C / Inert atmosphere

With trichlorophosphate; In diphenylether;

DOI:10.1002/cctc.201701596

upstream raw materials:

4-hydroxy-8-trifluoromethylquinoline

2,2-dimethyl-5-({[2-(trifluoromethyl)phenyl]amino}methylidene)-1,3-dioxane-4,6-dione

β-(o-trifluoromethylanilino)-propanoic acid

N-phenylpicolinamide

Downstream raw materials:

floctafenine

dimethylphosphinylmethyl N-(8-trifluoromethyl-4-quinoyl)-anthranilate

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