8-Fluoroquinolin-2(1H)-one

Base Information

• Chemical Name: 8-Fluoroquinolin-2(1H)-one
• CAS No.: 71738-83-5
• Molecular Formula: C9H6FNO
• Molecular Weight: 163.151
• Hs Code.: 2933499090
• ChEMBL ID: CHEMBL4205947
• DSSTox Substance ID: DTXSID70601124
• Pharos Ligand ID: XU56HD796K5U
• Wikidata: Q82497578
• Mol file: 71738-83-5.mol

Synonyms:8-FLUOROQUINOLIN-2(1H)-ONE;71738-83-5;8-FLUORO-1H-QUINOLIN-2-ONE;8-fluoroquinolin-2-ol;CHEMBL4205947;MFCD12026113;2(1H)-Quinolinone, 8-fluoro-;8-fluoroquinolone;8-fluoroquinolin-2 (1H)-one;SCHEMBL1967101;DTXSID70601124;OGPLOEMLZOLURH-UHFFFAOYSA-N;BDBM50459805;AKOS013465029;SB67487;DS-17982;SY103475;DB-124494;CS-0043852;C76281;EN300-625029;A866377

Chemical Property of 8-Fluoroquinolin-2(1H)-one

Chemical Property:

• Boiling Point: 332.1±42.0 °C(Predicted)
• PKA: 10.52±0.70(Predicted)
• Density: 1.291±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 163.043341977
• Heavy Atom Count: 12
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

8-Fluoroquinolin-2(1H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)F)NC(=O)C=C2

Technology Process of 8-Fluoroquinolin-2(1H)-one

There total 8 articles about 8-Fluoroquinolin-2(1H)-one 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: 92.0%

8-fluoroquinoline-N-oxide (2795-43-9) → 8-fluoroquinolin-2(1H)-one (71738-83-5)

Guidance literature:

With 1,8-dimethoxy-10-phenyl-9-(o-tolyl)acridin-10-ium chloride; In dimethyl sulfoxide; at 20 ℃; for 8h; Irradiation; Green chemistry;

DOI:10.1039/d1gc01460a

Reference yield:

2-Fluoroaniline (348-54-9) + (2E)-3-ethoxyprop-2-enoyl chloride (6191-99-7,99471-66-6) + 2-chloro-8-fluoroquinoline (124467-23-8) → 2-hydroxy-8-fluoroquinoline (71738-83-5) + N-(2-fluorophenyl)-3-ethoxyacrylamide

Guidance literature:

In pyridine;

Reference yield:

(2E)-N-(2-fluorophenyl)-3-phenylprop-2-enamide (1065481-24-4) → 8-fluoroquinolin-2(1H)-one (71738-83-5)

Guidance literature:

With aluminum (III) chloride; In chlorobenzene; at 125 ℃; for 3h;

upstream raw materials:

2-Fluoroaniline

(2E)-3-ethoxyprop-2-enoyl chloride

2-chloro-8-fluoroquinoline

N-(2-fluorophenyl)-3-phenylacrylamide

Downstream raw materials:

2-chloro-8-fluoroquinoline

(R)-1-(2-chloro-8-fluoroquinolin-3-yl)ethanol

2-((1S)-1-(8-fluoro-2-(2-(methylthio)phenyl)quinolin-3-yl)ethyl)isoindoline-1,3-dione

2-((1S)-1-(8-fluoro-2-(2-(methylsulfonyl)phenyl)-3-quinolinyl)ethyl)-1H-isoindole-1,3(2H)-dione