Quinolin-8-yl trifluoromethanesulfonate

Base Information

• Chemical Name: Quinolin-8-yl trifluoromethanesulfonate
• CAS No.: 108530-08-1
• Molecular Formula: C10H6 F3 N O3 S
• Molecular Weight: 277.224
• Hs Code.: 2933499090
• European Community (EC) Number: 622-900-8
• DSSTox Substance ID: DTXSID90394763
• Nikkaji Number: J378.594G
• Wikidata: Q82194364
• Mol file: 108530-08-1.mol

Synonyms:quinolin-8-yl trifluoromethanesulfonate;108530-08-1;8-Quinolinyl triflate;8-Quinolinyl trifluoromethanesulfonate;8-QUINOLINYLTRIFLATE;8-Quinolyl triflate;8-(trifluoromethylsulfonyloxy)quinoline;SCHEMBL249779;DTXSID90394763;8-trifluoromethanesulfonyloxyquinoline;STL257102;AKOS015993229;8-quinolinyl trifluoromethane-sulphonate;quinolin-8-yl trifluoro-methanesulfonate;8-Quinolinyl trifluoromethanesulfonate, 97%;CS-0335450;6Y-0201

Chemical Property of Quinolin-8-yl trifluoromethanesulfonate

Chemical Property:

• Melting Point: 65-68 °C(lit.)
• PSA: 64.64000
• LogP: 3.54400
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 277.00204871
• Heavy Atom Count: 18
• Complexity: 390

Purity/Quality:

99% ^*data from raw suppliers

8-quinolinyltrifluoromethanesulfonate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Quinolin-8-yl trifluoromethanesulfonate

There total 6 articles about Quinolin-8-yl trifluoromethanesulfonate 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: 100.0%

8-quinolinol (148-24-3,24804-14-6) + trifluoromethylsulfonic anhydride (358-23-6) → quinolin-8-yl trifluoromethanesulfonate (108530-08-1)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1002/chem.201203646

Reference yield: 92.0%

→ quinolin-8-yl trifluoromethanesulfonate (108530-08-1)

Guidance literature:

Reference yield: 91.0%

8-quinolinol (148-24-3,24804-14-6) + N,N-phenylbistrifluoromethane-sulfonimide (37595-74-7) → quinolin-8-yl trifluoromethanesulfonate (108530-08-1)

Guidance literature:

With potassium hydrogen difluoride; water monomer; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 18h; Reagent/catalyst; chemoselective reaction;

DOI:10.1039/d1sc06267k

upstream raw materials:

8-quinolinol

trifluoromethylsulfonic anhydride

trifluoromethane sulfonyl chloride

N,N-phenylbistrifluoromethane-sulfonimide

Downstream raw materials:

8-phenylquinoline

trimethyltin(IV)chloride

8-(phenylethynyl)quinoline

quinoline-8-carbonitrile

Refernces

• 1、 Goossen, Lukas J.,Rodriguez, Nuria,Linder, Christophe. "Decarboxylative biaryl synthesis from aromatic carboxylates and aryl triflates". . p. 15248 - 15249. Retrieved 2008.
• 2、 -. "COMPOUND, COLORANT COMPOSITION COMPRISING SAME, PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE MATERIAL, COLOR FILTER, DISPLAY DEVICE COMPRISING SAME". Paragraph 0214-0215; 0228-0229. . Retrieved 2021/01/19.
• 3、 Colomb, Julie,Becker, Guillaume,Fieux, Sylvain,Zimmer, Luc,Billard, Thierry. "Syntheses, radiolabelings, and in vitro evaluations of fluorinated pet radioligands of 5-HT6 serotoninergic receptors". supporting information. p. 3884 - 3890. Retrieved 2014/05/20.