4-Hydroxy-6-(trifluoromethyl)quinoline-3-carboxylic acid

Base Information

• Chemical Name: 4-Hydroxy-6-(trifluoromethyl)quinoline-3-carboxylic acid
• CAS No.: 49713-47-5
• Molecular Formula: C₁₁H₆F₃NO₃
• Molecular Weight: 257.169
• Hs Code.: 2933499090
• European Community (EC) Number: 671-275-8
• DSSTox Substance ID: DTXSID50964365
• Wikidata: Q82946337
• Mol file: 49713-47-5.mol

Synonyms:49713-47-5;4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylic acid;641993-21-7;4-oxo-6-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid;4-hydroxy-6-(trifluoromethyl)-3-quinolinecarboxylic acid;4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylic Acid;4-Oxo-6-(trifluoromethyl)-1,4-dihydro-3-quinolinecarboxylic acid;3-Quinolinecarboxylicacid, 4-hydroxy-6-(trifluoromethyl)-;MFCD00236691;4-hydroxy-6-trifluoromethyl-3-quinolinecarboxylic acid;4-Hydroxy-6-(trifluoromethyl)-3-quinoline-carboxylic acid;SCHEMBL2334574;DTXSID50964365;VUPSPASQZKLXMI-UHFFFAOYSA-N;BBL028448;MFCD00206334;STK661763;STL426404;AKOS002249946;AKOS005069287;PS-6651;SB68608;SB68660;SY003663;BB 0241040;CS-0206871;FT-0639883;EN300-629698;A827819;10T-0231;J-515911;3-Quinolinecarboxylicacid,4-hydroxy-6-(trifluoromethyl)-;4-Hydroxy-6-trifluoromethyl-quinoline-3-carbo xylic acid;F3173-0046;Z1741958686;4-oxidanylidene-6-(trifluoromethyl)-1H-quinoline-3-carboxylic acid;4-oxo-6-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylicacid;4-Hydroxy-6-(trifluoromethyl)-3-quinolinecarboxylic acid, AldrichCPR

Chemical Property of 4-Hydroxy-6-(trifluoromethyl)quinoline-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 9.33E-06mmHg at 25°C
• Refractive Index: 1.547
• Boiling Point: 358.3 °C at 760 mmHg
• Flash Point: 170.5 °C
• PSA: 70.16000
• Density: 1.55 g/cm³
• LogP: 2.24510
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 257.02997754
• Heavy Atom Count: 18
• Complexity: 416

Purity/Quality:

97% ^*data from raw suppliers

4-Hydroxy-6-(trifluoromethyl)quinoline-3-carboxylic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(F)(F)F)C(=O)C(=CN2)C(=O)O

Technology Process of 4-Hydroxy-6-(trifluoromethyl)quinoline-3-carboxylic acid

There total 3 articles about 4-Hydroxy-6-(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:

ethyl 4-oxo-6-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate (71083-01-7,26893-12-9) → 4-oxo-6-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid (641993-21-7,49713-47-5)

Guidance literature:

With sodium hydroxide; water; In diphenylether; for 4h; Reflux;

DOI:10.1021/jm800552f

Reference yield:

4-trifluoromethylphenylamine (455-14-1) → 4-oxo-6-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid (641993-21-7,49713-47-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 2 h / 110 °C

1.2: 2 h / Reflux

2.1: sodium hydroxide / methanol / 18 h / Reflux

With sodium hydroxide; In methanol;

DOI:10.1021/jm4011466

Reference yield:

diethyl 2-(((4-(trifluoromethyl)phenyl)amino)methylene)malonate (49713-39-5) → 4-oxo-6-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid (641993-21-7,49713-47-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: diphenylether / 1 h / Reflux

2.1: potassium hydroxide / water / 3 h / 100 °C

2.2: pH 4 - 5

With potassium hydroxide; In diphenylether; water;

DOI:10.1016/j.bmcl.2014.10.071

upstream raw materials:

ethyl 4-oxo-6-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate

4-trifluoromethylphenylamine

diethyl 2-(((4-(trifluoromethyl)phenyl)amino)methylene)malonate

Downstream raw materials:

4-chloro-6-(trifluoromethyl)quinoline

C₁₀H₆F₃NO

N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-6-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxamide

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