Quinolin-6-yl trifluoromethanesulfonate

Base Information

• Chemical Name: Quinolin-6-yl trifluoromethanesulfonate
• CAS No.: 173089-80-0
• Molecular Formula: C10H6F3NO3S
• Molecular Weight: 277.224
• European Community (EC) Number: 623-888-7
• DSSTox Substance ID: DTXSID90571037
• Nikkaji Number: J1.840.910K
• Wikidata: Q82458614
• Mol file: 173089-80-0.mol

Synonyms:Quinolin-6-yl trifluoromethanesulfonate;173089-80-0;6-Quinolinyl trifluoromethanesulfonate;SCHEMBL2030084;DTXSID90571037;6-Quinolyltrifluoromethane sulfonate;6-trifluoromethylsulfonyloxyquinoline;Quinolin-6-yltrifluoromethanesulfonate;AKOS015898535;6-Quinolinyl trifluoromethanesulfonate, 97%;trifluoromethanesulfonic acid quinolin-6-yl ester;A811486;trifluoro-methanesulfonic acid quinolin-6-yl ester;J-010877

Chemical Property of Quinolin-6-yl trifluoromethanesulfonate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 34-38oC(lit.)
• Boiling Point: 354.743oC at 760 mmHg
• PKA: 3.59±0.10(Predicted)
• Flash Point: >230 °F
• PSA: 64.64000
• Density: 1.556g/cm3
• LogP: 3.54400
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• 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:

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

6-Quinolinyl trifluoromethanesulfonate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-36/38
• Safety Statements: 26-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Quinolin-6-yl trifluoromethanesulfonate

There total 2 articles about Quinolin-6-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%

6-hydroxyquinoline (580-16-5) + trifluoromethylsulfonic anhydride (358-23-6) → quinolin-6-yl triflate (173089-80-0)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 4h;

Reference yield: 94.0%

→ quinolin-6-yl triflate (173089-80-0)

Guidance literature:

Reference yield: 98.0%

tributylphenylstannane (960-16-7) + quinolin-6-yl triflate (173089-80-0) + molybdenum hexacarbonyl (13939-06-5,199620-15-0) → phenyl(quinolin-6-yl)methanone (54885-02-8)

Guidance literature:

With 1,1'-bis(diphenylphosphino)ferrocene-palladium(II)dichloride dichloromethane complex; 1,8-diazabicyclo[5.4.0]undec-7-ene; lithium chloride; In N,N-dimethyl-formamide; at 100 ℃; for 16h;

DOI:10.1016/j.tetlet.2010.02.165

upstream raw materials:

6-hydroxyquinoline

trifluoromethylsulfonic anhydride

Downstream raw materials:

(4-quinolin-6-ylethynyl-phenyl)-carbamic acid tert-butyl ester

6-(methoxycarbonyl)quinoline

1-(diphenylmethylene)-2-(quinolin-6-yl)hydrazine

6-fluoroquinoline

Refernces

• 1、 -. "POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES". Page/Page column 127. . Retrieved 2021/01/29.
• 2、 Debruyne, Maarten,Everaert, Jonas,Heugebaert, Thomas S. A.,Stevens, Christian V.,Van Der Voort, Pascal,Van Hecke, Kristof,Van Speybroeck, Veronique,Vanden Bussche, Flore. "Synthesis of Nitrile-Functionalized Polydentate N-Heterocycles as Building Blocks for Covalent Triazine Frameworks". . . Retrieved 2021/10/21.