8-Fluoroquinoline

Base Information

• Chemical Name: 8-Fluoroquinoline
• CAS No.: 394-68-3
• Molecular Formula: C9H6FN
• Molecular Weight: 147.152
• Hs Code.: 2933499090
• European Community (EC) Number: 807-825-2
• NSC Number: 51786
• UNII: WC3ZS5FY7R
• DSSTox Substance ID: DTXSID60192591
• Nikkaji Number: J371.939A
• Wikidata: Q72476998
• ChEMBL ID: CHEMBL1162366
• Mol file: 394-68-3.mol

Synonyms:8-Fluoroquinoline;394-68-3;Quinoline, 8-fluoro-;C9H6FN;CCRIS 2891;MFCD01685514;WC3ZS5FY7R;BRN 0114548;NSC-51786;NSC51786;8-Fluoro-quinolinium;UNII-WC3ZS5FY7R;FLUOROQUINOLINE, 8-;8-Fluoroquinoline, AldrichCPR;SCHEMBL1538341;CHEMBL1162366;DTXSID60192591;BCP19389;NSC 51786;STL134906;AKOS005259248;AC-3295;CS-W001560;PS-6513;R)-(+)-methyl(R)-2-chloropropionate;SB67539;SY004608;LS-141960;F1185;FT-0658639;EN300-27706;A824560;W-200551;Z243277338

Chemical Property of 8-Fluoroquinoline

Chemical Property:

• Appearance/Colour: yellowish liquid
• Vapor Pressure: 0.0654mmHg at 25°C
• Refractive Index: 1.614
• Boiling Point: 238.4 °C at 760 mmHg
• PKA: 1.93±0.17(Predicted)
• Flash Point: 98 °C
• PSA: 12.89000
• Density: 1.216 g/cm³
• LogP: 2.37390
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.048427358
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

8-Fluoroquinoline ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)F)N=CC=C2

Technology Process of 8-Fluoroquinoline

There total 8 articles about 8-Fluoroquinoline 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: 90.0%

8-quinolinol (148-24-3,24804-14-6) → 8-fluoroquinoline (394-68-3)

Guidance literature:

With 1,3-bis(2,6-diisopropylphenyl)-2,2-difluoro-2,3-dihydro-1h-imidazole; cesium fluoride; In toluene; at 23 - 110 ℃; for 20.5h; Inert atmosphere;

DOI:10.1021/ja2048072

Reference yield: 83.0%

2-Fluoroaniline (348-54-9) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 8-fluoroquinoline (394-68-3)

Guidance literature:

2-Fluoroaniline; With sulfuric acid; at 130 ℃; for 1h;

glycerol; With potassium iodide; at 130 ℃; for 18h; Temperature;

Reference yield: 75.0%

8-fluoro-1,2,3,4-tetrahydroquinoline (75414-02-7) → 8-fluoroquinoline (394-68-3)

Guidance literature:

With oxygen; In N,N-dimethyl acetamide; at 20 ℃; Schlenk technique; Irradiation;

DOI:10.1002/chem.202100398

upstream raw materials:

8-amino quinoline

2-Fluoroaniline

glycerol

quinoline

Downstream raw materials:

quinoline

5,6,7,8-tetrahydroquinoline

1,2,3,4-tetrahydroisoquinoline

8-fluoro-1,2,3,4-tetrahydroquinoline

Refernces

• 1、 Liu, Shuyang,Tian, Miao,Bu, Xiubin,Tian, Hua,Yang, Xiaobo. "Covalent Organic Frameworks toward Diverse Photocatalytic Aerobic Oxidations". supporting information. p. 7738 - 7744. Retrieved 2021/05/07.
• 2、 -. "METHOD FOR AROMATIC FLUORINATION". Paragraph 0051; 0052. . Retrieved 2017/12/18.