2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic Acid

Base Information

• Chemical Name: 2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic Acid
• CAS No.: 1533-16-0
• Molecular Formula: C₁₇H₁₀F₃NO₂
• Molecular Weight: 317.267
• DSSTox Substance ID: DTXSID30398700
• Wikidata: Q82200826
• Mol file: 1533-16-0.mol

Synonyms:1533-16-0;2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic Acid;2-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid;2-(3-(Trifluoromethyl)phenyl)quinoline-4-carboxylic acid;4-Quinolinecarboxylic acid, 2-[3-(trifluoromethyl)phenyl]-;SCHEMBL2373465;DTXSID30398700;AKOS015901229;AP-501/43379910

Chemical Property of 2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic Acid

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 317.06636305
• Heavy Atom Count: 23
• Complexity: 440

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O

Technology Process of 2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic Acid

There total 3 articles about 2-[3-(trifluoromethyl)phenyl]quinoline-4-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: 70.0%

3-Trifluoromethylbenzaldehyde (454-89-7) + 2-oxo-propionic acid (127-17-3) + aniline (62-53-3) → 2-(3-trifluoromethylphenyl)-quinoline-4-carboxylic acid (1533-16-0)

Guidance literature:

In ethanol; for 2h; Heating;

DOI:10.1016/S0022-1139(00)82415-X

Reference yield:

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + 3'-(trifluoromethyl)acetophenone (349-76-8) → 2-(3-trifluoromethylphenyl)-quinoline-4-carboxylic acid (1533-16-0)

Guidance literature:

Reference yield:

→ 2-(3-trifluoromethylphenyl)-quinoline-4-carboxylic acid (1533-16-0)

Guidance literature:

Isatin, KOH, A., 3-Trifluormethyl-acetophenon;

DOI:10.1021/je60025a042

upstream raw materials:

3-Trifluoromethylbenzaldehyde

2-oxo-propionic acid

aniline

indole-2,3-dione

Downstream raw materials:

2-(3'-trifluoromethylphenyl)quinoline-4-carbonylguanidine

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