6-Fluoroquinoline-4-carboxylic acid

Base Information

• Chemical Name: 6-Fluoroquinoline-4-carboxylic acid
• CAS No.: 220844-73-5
• Molecular Formula: C10H6FNO2
• Molecular Weight: 191.162
• DSSTox Substance ID: DTXSID00594217
• Wikidata: Q82488997
• Mol file: 220844-73-5.mol

Synonyms:6-FLUOROQUINOLINE-4-CARBOXYLIC ACID;220844-73-5;4-Quinolinecarboxylic acid, 6-fluoro-;6-fluoroquinoline-4-carboxylic;SCHEMBL7372413;DTXSID00594217;FNGWSJQERDIOJO-UHFFFAOYSA-N;AMY26355;VIA84473;6-Fluoro-4-quinolinecarboxylic acid;MFCD09259934;AKOS006331412;SB67605;6-FLUOROQUINOLINE-4-CARBOXYLICACID;AS-41362;DB-383734;CS-0209318;A18465;EN300-629984

Chemical Property of 6-Fluoroquinoline-4-carboxylic acid

Chemical Property:

• PSA: 50.19000
• LogP: 2.07210
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 191.03825660
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

6-fluoroquinoline-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NC=CC(=C2C=C1F)C(=O)O

Technology Process of 6-Fluoroquinoline-4-carboxylic acid

There total 5 articles about 6-Fluoroquinoline-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: 98.0%

6-fluoroquinoline-2,4-dicarboxylic acid (220844-72-4) → 6-fluoroquinoline-4-carboxylic acid (220844-73-5)

Guidance literature:

In water; at 200 ℃; for 3h; Sealed tube;

Reference yield: 83.3%

→ 6-fluoroquinoline-4-carboxylic acid (220844-73-5)

Guidance literature:

In water; at 210 ℃; under 15001.5 Torr; Microwave irradiation;

Reference yield:

5-fluoro-1H-indole-2,3-dione (443-69-6) + sodium pyruvate (113-24-6) → 6-fluoroquinoline-4-carboxylic acid (220844-73-5)

Guidance literature:

5-fluoro-1H-indole-2,3-dione; sodium pyruvate; With water; sodium hydroxide; at 110 ℃; for 0.166667h; under 4500.45 Torr; Microwave irradiation;

In water; at 190 - 200 ℃; for 0.0833333h; under 12001.2 - 13501.4 Torr; Microwave irradiation;

DOI:10.1016/j.cclet.2009.09.012

upstream raw materials:

6-fluoroquinoline-2,4-dicarboxylic acid

5-fluoro-1H-indole-2,3-dione

sodium pyruvate

2-oxo-propionic acid

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