6-Fluoro-4-hydroxyquinoline-3-carboxylic acid

Base Information

• Chemical Name: 6-Fluoro-4-hydroxyquinoline-3-carboxylic acid
• CAS No.: 117685-48-0
• Molecular Formula: C₁₀H₆FNO₃
• Molecular Weight: 207.161
• Hs Code.: 2933491090
• European Community (EC) Number: 811-899-1
• Nikkaji Number: J1.092.200C,J2.746.009G
• ChEMBL ID: CHEMBL215479
• Mol file: 117685-48-0.mol

Synonyms:6-fluoro-4-hydroxyquinoline-3-carboxylic acid;343-10-2;117685-48-0;6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;6-Fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid;6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid;6-Fluoro-4-hydroxy-quinoline-3-carboxylic acid;MFCD00973836;3-Quinolinecarboxylic acid, 6-fluoro-4-hydroxy-;MFCD03425825;6-Fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid;Cambridge id 6157653;TimTec1_006632;Oprea1_061959;Oprea1_130770;MLS000713684;SCHEMBL398640;6-Fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylicacid;CHEMBL215479;HMS1552N10;BBL003096;CCG-17787;STK450411;STK802379;AKOS000273699;AKOS000300261;AB07867;AC-2911;CS-W002720;DS-1136;PS-6554;SB68618;AM803734;BP-20487;SMR000273165;SY003323;BB 0221940;FT-0631986;EN300-133785;6-Fluoro-4-hydroxy-quinoline-3-carboxylic acid;AB00682556-01;6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic;9T-0233;A875022;SR-01000453235;J-518730;J-518735;J-650038;SR-01000453235-1;6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid;1,4-Dihydro-6-fluoro-4-oxoquinoline-3-carboxylic acid;3-Quinolinecarboxylicacid,6-fluoro-1,4-dihydro-4-oxo-;F0911-3835;6-Fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid, AldrichCPR

Chemical Property of 6-Fluoro-4-hydroxyquinoline-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 6.77E-06mmHg at 25°C
• Melting Point: 298-300°C
• Boiling Point: 362.7 °C at 760 mmHg
• PKA: 0.30±0.20(Predicted)
• Flash Point: 173.2 °C
• PSA: 70.16000
• Density: 1.517 g/cm³
• LogP: 1.36540
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Aqueous Base (Slightly, Sonicated), DMSO (Slightly, Heated, Sonicated)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 207.03317122
• Heavy Atom Count: 15
• Complexity: 340

Purity/Quality:

97% ^*data from raw suppliers

6-Fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Irritant
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)C(=O)C(=CN2)C(=O)O

Technology Process of 6-Fluoro-4-hydroxyquinoline-3-carboxylic acid

There total 9 articles about 6-Fluoro-4-hydroxyquinoline-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 6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate (71083-00-6) → 6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (343-10-2,117685-48-0)

Guidance literature:

With sodium hydroxide; for 1h; Heating;

DOI:10.1021/jm050048t

Reference yield:

4-fluoroaniline (371-40-4) → 6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (343-10-2,117685-48-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 1 h / Heating

2: various solvent(s) / 1 h / Heating

3: aq. NaOH / 1 h / Heating

With sodium hydroxide; In various solvent(s);

DOI:10.1021/jm050048t

Reference yield:

diethyl 2-(4-fluoroanilino)methylenemalonate (26832-96-2) → 6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (343-10-2,117685-48-0)

Guidance literature:

Multi-step reaction with 2 steps

1: various solvent(s) / 1 h / Heating

2: aq. NaOH / 1 h / Heating

With sodium hydroxide; In various solvent(s);

DOI:10.1021/jm050048t

upstream raw materials:

6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid methyl ester

ethyl 6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

diethyl 2-(4-fluoroanilino)methylenemalonate

4-fluoroaniline

Downstream raw materials:

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

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