4-Bromo-2-(trifluoromethyl)quinoline

Base Information

• Chemical Name: 4-Bromo-2-(trifluoromethyl)quinoline
• CAS No.: 18706-25-7
• Molecular Formula: C10H5BrF3N
• Molecular Weight: 274.96
• Hs Code.: 2933499090
• European Community (EC) Number: 683-606-3
• DSSTox Substance ID: DTXSID10506043
• Nikkaji Number: J2.008.164C
• Wikidata: Q72513519
• Mol file: 18706-25-7.mol

Synonyms:4-BROMO-2-(TRIFLUOROMETHYL)QUINOLINE;18706-25-7;MFCD00277488;2-Trifluoromethyl-4-bromoquinoline;SCHEMBL2657337;AMY4776;DTXSID10506043;AKOS015835389;AB05901;PS-7249;4-bromanyl-2-(trifluoromethyl)quinoline;SY128208;CS-0356507;FT-0645957;C13567;A813108;J-514599

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

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 0.012mmHg at 25°C
• Refractive Index: 1.573
• Boiling Point: 268.929 °C at 760 mmHg
• PKA: -1.38±0.50(Predicted)
• Flash Point: 116.445 °C
• PSA: 12.89000
• Density: 1.658 g/cm³
• LogP: 4.01610
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 274.95575
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 4 articles about 4-Bromo-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: 88.0%

2‐(trifluoromethyl)quinolin‐4(1H)‐one (83842-55-1) → 4-bromo-2-(trifluoromethyl)quinoline (18706-25-7)

Guidance literature:

With phosphorus(V) oxybromide; at 150 ℃; for 2h;

DOI:10.1002/ejoc.200390217

Reference yield:

2-(trifluoromethyl)quinolin-4-ol (1701-18-4) → 4-bromo-2-(trifluoromethyl)quinoline (18706-25-7)

Guidance literature:

With hydrogen bromide; In toluene; for 15h; Reflux;

Reference yield:

2,4-dibromoquinoline (20151-40-0) + (1,10-phenanthroline)(trifluoromethyl)copper (I) → 4-bromo-2-(trifluoromethyl)quinoline (18706-25-7) + 2,4-ditrifluoromethylquinoline

Guidance literature:

In N,N-dimethyl-formamide; at 80 ℃; for 8h; regioselective reaction; Sealed tube; Inert atmosphere;

DOI:10.1021/ol500422t

upstream raw materials:

2‐(trifluoromethyl)quinolin‐4(1H)‐one

aniline

2,4-dibromoquinoline

2-(trifluoromethyl)quinolin-4-ol

Downstream raw materials:

2-(trifluoromethyl)quinoline-4-carboxylic acid

4-bromo-2-trifluoromethyl-3-quinolinecarboxylic acid

α-Phenyl-2-trifluoromethyl-4-quinolinemethanol

tert-butyl 4-{(1R)-1-[(R)-[(2-trifluoromethylquinolin-4-yl)oxy](4-chlorophenyl)methyl]butyl}benzoate