8-Fluoro-4-hydroxyquinoline

Base Information

• Chemical Name: 8-Fluoro-4-hydroxyquinoline
• CAS No.: 63010-71-9
• Molecular Formula: C9H6 F N O
• Molecular Weight: 163.151
• Hs Code.: 2933499090
• European Community (EC) Number: 623-464-1
• DSSTox Substance ID: DTXSID50978907
• Wikidata: Q72477008
• Mol file: 63010-71-9.mol

Synonyms:8-Fluoroquinolin-4-ol;8-Fluoro-4-hydroxyquinoline;63010-71-9;8-Fluoroquinolin-4(1H)-one;934000-16-5;8-fluoro-1H-quinolin-4-one;4-Quinolinol, 8-fluoro-;4-hydroxy-8-fluoroquinoline;8-fluoro-4-quinolinol;MFCD00272395;8-fluoro-quinolin-4-ol;F2156-0044;SCHEMBL1258962;SCHEMBL15252375;DTXSID50978907;8-Fluoro-4-hydroxyquinoline, 97%;STK787837;AKOS002336179;AKOS009157700;CCG-321466;CS-W002594;DS-1528;FS-1085;SB67461;SB67843;SY003656;BB 0221884;FT-0621537;FT-0692987;EN300-160125;O11675;A834145;J-650053;Z431511908

Chemical Property of 8-Fluoro-4-hydroxyquinoline

Chemical Property:

• Vapor Pressure: 0.0134mmHg at 25°C
• Melting Point: 278-282oC
• Boiling Point: 258.9oC at 760 mmHg
• PKA: 8.06±0.30(Predicted)
• Flash Point: 110.4oC
• PSA: 33.12000
• Density: 1.291g/cm3
• LogP: 2.07950
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 163.043341977
• Heavy Atom Count: 12
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

8-fluoroquinolin-4-ol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22-41
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 8-Fluoro-4-hydroxyquinoline

There total 4 articles about 8-Fluoro-4-hydroxyquinoline 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: 96.0%

ethyl 8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate (71083-06-2) → 8-fluoroquinolin-4(1H)-one (934000-16-5,63010-71-9)

Guidance literature:

With water; In diphenylether; at 260 ℃; for 0.333333h; under 15001.5 Torr; microwave irradiation;

DOI:10.1135/cccc20060978

Reference yield:

cycl-isopropylidene malonate (2033-24-1) + 2-Fluoroaniline (348-54-9) → 8-fluoroquinolin-4(1H)-one (934000-16-5,63010-71-9)

Guidance literature:

cycl-isopropylidene malonate; With trimethyl orthoformate; at 110 ℃; for 2h; Inert atmosphere; Schlenk technique;

2-Fluoroaniline; at 110 ℃; for 2h; Inert atmosphere; Schlenk technique;

In diphenylether; at 250 ℃; for 1h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.2c00020

Reference yield:

5-[(2-fluoro-phenylamino)-methylene]-2,2-dimethyl-[1,3]dioxane-4,6-dione (369395-32-4) → 8-fluoro-4-hydroxyquinoline (63010-71-9)

Guidance literature:

In diphenylether; at 300 ℃; for 0.0833333h; microwave irradiation;

DOI:10.1016/j.bmcl.2004.12.037

upstream raw materials:

5-[(2-fluoro-phenylamino)-methylene]-2,2-dimethyl-[1,3]dioxane-4,6-dione

ethyl 8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

cycl-isopropylidene malonate

2-Fluoroaniline

Downstream raw materials:

4-chloro-8-fluoro-quinoline

4-(2-chloro-4-nitrophenoxy)-8-fluoroquinoline

4-bromo-8-fluoroquinoline