2-(trifluoromethyl)quinoline-3-carboxylic Acid

Base Information

• Chemical Name: 2-(trifluoromethyl)quinoline-3-carboxylic Acid
• CAS No.: 587886-26-8
• Molecular Formula: C₁₁H₆F₃NO₂
• Molecular Weight: 241.169
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID30380665
• Nikkaji Number: J2.008.076K
• Wikidata: Q82171045
• Mol file: 587886-26-8.mol

Synonyms:2-(trifluoromethyl)quinoline-3-carboxylic Acid;587886-26-8;2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLICACID;SCHEMBL20087;DTXSID30380665;AMY26028;MFCD01862086;AKOS000320436;SB69959;TS-03370;5-(4-BROMOPHENYL)-2-FUROICACID98;CS-0247965;FT-0651357;EN300-382938;A849918;Q-103522;2-(trifluoromethyl)quinoline-3-carboxylic acid, 98%;Z3219959971

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

Chemical Property:

• Vapor Pressure: 0.000125mmHg at 25°C
• Melting Point: 207-209 °C(Solv: methanol (67-56-1))
• Refractive Index: 1.578
• Boiling Point: 321.2 °C at 760 mmHg
• PKA: 2.42±0.30(Predicted)
• Flash Point: 148.1 °C
• PSA: 50.19000
• Density: 1.481 g/cm³
• LogP: 2.95180
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 241.03506292
• Heavy Atom Count: 17
• Complexity: 306

Purity/Quality:

97% ^*data from raw suppliers

2-(Trifluoromethyl)quinoline-3-carboxylic acid 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)C(=O)O

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

There total 8 articles about 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: 91.0%

4-bromo-2-trifluoromethyl-3-quinolinecarboxylic acid (587886-11-1) → 2-trifluoromethyl-3-quinolinecarboxylic acid (587886-26-8)

Guidance literature:

With n-butyllithium; In diethyl ether; hexane; at -75 ℃; for 6h;

DOI:10.1002/ejoc.200390215

Reference yield: 31.0%

2-trifluoromethyl-quinoline (347-42-2) + carbon dioxide (124-38-9,18923-20-1) → 2-trifluoromethyl-3-quinolinecarboxylic acid (587886-26-8)

Guidance literature:

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

DOI:10.1002/ejoc.200390216

Reference yield:

2-trifluoromethyl-quinoline (347-42-2) + carbon dioxide (124-38-9,18923-20-1) → 2-(trifluoromethyl)quinoline-4-carboxylic acid (18706-39-3) + 2-trifluoromethyl-8-quinolinecarboxylic acid (588702-63-0) + 2-trifluoromethyl-3-quinolinecarboxylic acid (587886-26-8)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -75 ℃; Further Variations:; Reagents; Solvents; Product distribution;

DOI:10.1002/ejoc.200390216

upstream raw materials:

2-trifluoromethyl-quinoline

carbon dioxide

methyl 2-(trifluoromethyl)quinoline-3-carboxylate

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