4-Bromo-3-(trifluoromethyl)quinoline

Base Information

• Chemical Name: 4-Bromo-3-(trifluoromethyl)quinoline
• CAS No.: 590371-97-4
• Molecular Formula: C10H5BrF3N
• Molecular Weight: 276.05
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID60449794
• Wikidata: Q82269311
• Mol file: 590371-97-4.mol

Synonyms:4-bromo-3-(trifluoromethyl)quinoline;590371-97-4;4-Bromo-3-trifluoromethyl-quinoline;DTXSID60449794;AMY18928;MFCD08458128;AKOS015897048;SB37821;TS-00941;CS-0312977;FT-0698652;A25804;Y10199

Chemical Property of 4-Bromo-3-(trifluoromethyl)quinoline

Chemical Property:

• Boiling Point: 296.017 °C at 760 mmHg
• Flash Point: 132.827 °C
• PSA: 12.89000
• Density: 1.658 g/cm³
• LogP: 4.01610
• XLogP3: 3.8
• 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:

99%, ^*data from raw suppliers

4-Bromo-3-(trifluoromethyl)quinoline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromo-3-(trifluoromethyl)quinoline

There total 2 articles about 4-Bromo-3-(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: 93.0%

4-chloro-3-(trifluoromethyl)quinoline (590371-93-0) → 4-bromo-3-(trifluoromethyl)quinoline (590371-97-4)

Guidance literature:

With trimethylsilyl bromide; In various solvent(s); for 20h; Heating;

DOI:10.1002/ejoc.200390215

Reference yield:

4-chloro-3-iodoquinoline (590371-90-7) → 4-bromo-3-(trifluoromethyl)quinoline (590371-97-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 79 percent / copper(I) iodide; potassium fluoride / 1-methyl-pyrrolidin-2-one / 20 h / 50 °C

2: 93 percent / bromotrimethylsilane / various solvent(s) / 20 h / Heating

With potassium fluoride; copper(l) iodide; trimethylsilyl bromide; In 1-methyl-pyrrolidin-2-one;

DOI:10.1002/ejoc.200390215

Reference yield: 81.0%

carbon dioxide (124-38-9,18923-20-1) + 4-bromo-3-(trifluoromethyl)quinoline (590371-97-4) → 3-trifluoromethyl-4-quinolinecarboxylic acid (588702-65-2)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -100 ℃; for 0.25h;

DOI:10.1002/ejoc.200390215

upstream raw materials:

4-chloro-3-(trifluoromethyl)quinoline

4-chloro-3-iodoquinoline

Downstream raw materials:

3-trifluoromethyl-4-quinolinecarboxylic acid

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