6-Fluoroquinoline

Base Information

• Chemical Name: 6-Fluoroquinoline
• CAS No.: 396-30-5
• Molecular Formula: C9H6FN
• Molecular Weight: 147.152
• Hs Code.: 2933499090
• European Community (EC) Number: 685-586-1
• DSSTox Substance ID: DTXSID80192710
• Nikkaji Number: J371.937E
• Wikidata: Q72476989
• ChEMBL ID: CHEMBL1162364
• Mol file: 396-30-5.mol

Synonyms:6-Fluoroquinoline;396-30-5;Quinoline, 6-fluoro-;CCRIS 2892;MFCD01685512;BRN 0112962;6-Fluoroquinolin;6-fluoro-quinoline;6-Fluoro quinoline;6-Fluoro-quinolinium;6-Fluoroquinoline, 97%;SCHEMBL2170490;CHEMBL1162364;DTXSID80192710;BBL102946;STL556755;AKOS005259247;AC-3296;CS-W002817;SB67460;SY004609;TS-01918;LS-141958;AM20061870;F1034;FT-0621137;EN300-35693;A873603;J-518760;Z361878560

Chemical Property of 6-Fluoroquinoline

Chemical Property:

• Vapor Pressure: 0.0654mmHg at 25°C
• Refractive Index: 1.614
• Boiling Point: 238.4 °C at 760 mmHg
• PKA: 4.32±0.10(Predicted)
• Flash Point: 98 °C
• PSA: 12.89000
• Density: 1.216 g/cm³
• LogP: 2.37390
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• 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:

98%,99%, ^*data from raw suppliers

6-Fluoroquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=C2)F)N=C1
• Uses: 6-Fluoroquinoline, is a versatile building block used in the synthesis of various chemical compounds.

Technology Process of 6-Fluoroquinoline

There total 22 articles about 6-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: 99.0%

6-fluoro-1,2,3,4-tetrahydroquinoline (59611-52-8) → 6-fluoroquinoline (396-30-5)

Guidance literature:

With tert-butylethylene; C₂₁H₂₆ClIrNOP; sodium t-butanolate; In para-xylene; at 150 ℃; for 24h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1002/cjoc.202000097

Reference yield: 92.0%

6-hydroxyquinoline (580-16-5) → 6-fluoroquinoline (396-30-5)

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: 89.0%

6-fluoroquinoline N--oxide (2338-74-1) → 6-fluoroquinoline (396-30-5)

Guidance literature:

With styrene; tris(bipyridine)ruthenium(II) dichloride hexahydrate; hydrazine hydrate; In dimethyl sulfoxide; at 20 ℃; for 14h; chemoselective reaction; Inert atmosphere; Irradiation;

DOI:10.1021/acs.orglett.8b03446

upstream raw materials:

6-aminoquinoline

4-Fluoroquinoline

glycerol

N-(tert-butoxycarbonyl)-4-fluoroaniline

Downstream raw materials:

6-fluoro-5-nitroquinoline

6-fluoro-1-formyl-1,2,3,4-tetrahydroquinoline

quinoline

3-fluoroimidazo[1,2-a:3,4-a']diquinolin-15-ium iodide

Refernces

• 1、 Llopis, Natalia,Gisbert, Patricia,Baeza, Alejandro,Correa-Campillo, Jara. "Dehydrogenation of N-Heterocyclic Compounds Using H2O2 and Mediated by Polar Solvents". supporting information. p. 1205 - 1210. Retrieved 2022/02/25.
• 2、 An, Ju Hyeon,Kim, Kyu Dong,Lee, Jun Hee. "Highly Chemoselective Deoxygenation of N-Heterocyclic N-Oxides Using Hantzsch Esters as Mild Reducing Agents". supporting information. p. 2876 - 2894. Retrieved 2021/02/01.