8-Bromo-2-(trifluoromethyl)quinoline

Base Information

• Chemical Name: 8-Bromo-2-(trifluoromethyl)quinoline
• CAS No.: 176722-63-7
• Molecular Formula: C10H5BrF3N
• Molecular Weight: 276.05300
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID60571524
• Wikidata: Q82459619
• Mol file: 176722-63-7.mol

Synonyms:8-Bromo-2-(trifluoromethyl)quinoline;176722-63-7;Quinoline, 8-bromo-2-(trifluoromethyl)-;8-BROMO-2-(TRIFLUOROMETHYL)-QUINOLINE;DTXSID60571524;BHA72263;MFCD08741357;AKOS015897045;AB48759;AS-64134;CS-0060623;A25658

Chemical Property of 8-Bromo-2-(trifluoromethyl)quinoline

Chemical Property:

• Vapor Pressure: 0.00515mmHg at 25°C
• Melting Point: 62-63 °C(Solv: pentane (109-66-0); pentane (109-66-0))
• Boiling Point: 284.3oC at 760 mmHg
• PKA: -2.42±0.50(Predicted)
• Flash Point: 125.7oC
• PSA: 12.89000
• Density: 1.658g/cm3
• LogP: 4.01610
• Storage Temp.: 2-8°C
• XLogP3: 3.9
• 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

8-Bromo-2-(trifluoromethyl)quinoline 98.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)Br)N=C(C=C2)C(F)(F)F

Technology Process of 8-Bromo-2-(trifluoromethyl)quinoline

There total 2 articles about 8-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: 76.0%

4,8-dibromo-2-(trifluoromethyl)quinoline (587885-93-6) → 8-bromo-2-(trifluoromethyl)quinoline (176722-63-7)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -75 ℃; for 0.25h;

DOI:10.1002/ejoc.200390215

Reference yield: 38.0%

4-(2-bromoanilino)-1,1,1-trifluorobut-3-en-2-one (176722-52-4) → 8-bromo-2-(trifluoromethyl)quinoline (176722-63-7)

Guidance literature:

With trichlorophosphate; In n-heptane; at 20 - 100 ℃; for 6h;

DOI:10.1016/0040-4020(96)00168-8

Reference yield: 73.0%

carbon dioxide (124-38-9,18923-20-1) + 8-bromo-2-(trifluoromethyl)quinoline (176722-63-7) → 2-trifluoromethyl-8-quinolinecarboxylic acid (588702-63-0)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -75 ℃; for 0.75h;

DOI:10.1002/ejoc.200390215

upstream raw materials:

4-(2-bromoanilino)-1,1,1-trifluorobut-3-en-2-one

4,8-dibromo-2-(trifluoromethyl)quinoline

Downstream raw materials:

2-trifluoromethyl-8-quinolinecarboxylic acid