4-bromo-2-(trifluoromethyl)quinoline-3-carboxylic Acid

Base Information

• Chemical Name: 4-bromo-2-(trifluoromethyl)quinoline-3-carboxylic Acid
• CAS No.: 587886-11-1
• Molecular Formula: C11H5BrF3NO2
• Molecular Weight: 320.06200
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID70455967
• Nikkaji Number: J2.008.165A
• Wikidata: Q82278146

Synonyms:4-bromo-2-(trifluoromethyl)quinoline-3-carboxylic Acid;587886-11-1;DTXSID70455967;AMY26192;MFCD08458126;AKOS024263590;SB72868;AS-30852;CS-0326920;A849920;4-bromo-2-(trifluoromethyl)quinoline-3-carboxylicAcid;4-bromo-2-(trifluoromethyl)quinoline-3-carboxylic acid, >98%

Chemical Property of 4-bromo-2-(trifluoromethyl)quinoline-3-carboxylic Acid

Chemical Property:

• Boiling Point: 345.8±42.0 °C(Predicted)
• PKA: 1.07±0.30(Predicted)
• PSA: 50.19000
• Density: 1.788±0.06 g/cm3(Predicted)
• LogP: 3.71430
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 318.94558
• Heavy Atom Count: 18
• Complexity: 337

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-2-(trifluoromethyl)quinoline-3-carboxylic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-bromo-2-(trifluoromethyl)quinoline-3-carboxylic Acid

There total 3 articles about 4-bromo-2-(trifluoromethyl)quinoline-3-carboxylic Acid 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%

carbon dioxide (124-38-9,18923-20-1) + 4-bromo-2-(trifluoromethyl)quinoline (18706-25-7) → 4-bromo-2-trifluoromethyl-3-quinolinecarboxylic acid (587886-11-1)

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -75 ℃; for 2h;

DOI:10.1002/ejoc.200390217

Reference yield:

2‐(trifluoromethyl)quinolin‐4(1H)‐one (83842-55-1) → 4-bromo-2-trifluoromethyl-3-quinolinecarboxylic acid (587886-11-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / phosphorus oxybromide / 2 h / 150 °C

2: 88 percent / butyllithium; diisopropylamine / tetrahydrofuran; hexane / 2 h / -75 °C

With n-butyllithium; diisopropylamine; phosphorus(V) oxybromide; In tetrahydrofuran; hexane;

DOI:10.1002/ejoc.200390217

Reference yield:

aniline (62-53-3) → 4-bromo-2-trifluoromethyl-3-quinolinecarboxylic acid (587886-11-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 51 percent / polyphosphoric acid / 2 h / 150 °C

2: 88 percent / phosphorus oxybromide / 2 h / 150 °C

3: 88 percent / butyllithium; diisopropylamine / tetrahydrofuran; hexane / 2 h / -75 °C

With n-butyllithium; PPA; diisopropylamine; phosphorus(V) oxybromide; In tetrahydrofuran; hexane;

DOI:10.1002/ejoc.200390217

upstream raw materials:

carbon dioxide

4-bromo-2-(trifluoromethyl)quinoline

2‐(trifluoromethyl)quinolin‐4(1H)‐one

aniline

Downstream raw materials:

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

2-trifluoromethyl-3-quinolinecarboxylic acid

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 587886-11-1 4-BROMO-2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID

Send

Send

Metric Ton KG G Pound L ML

Send

Send