3,6-dihydro-2H-pyran-4-yl trifluoromethanesulfonate

Base Information

• Chemical Name: 3,6-dihydro-2H-pyran-4-yl trifluoromethanesulfonate
• CAS No.: 188975-30-6
• Molecular Formula: C6H7F3O4S
• Molecular Weight: 232.18
• European Community (EC) Number: 690-684-2
• DSSTox Substance ID: DTXSID50463409
• Nikkaji Number: J1.414.665B
• Wikidata: Q82288281
• Mol file: 188975-30-6.mol

Synonyms:3,6-dihydro-2H-pyran-4-yl trifluoromethanesulfonate;188975-30-6;3,6-Dihydro-2H-pyran-4-yl trifluoro-methanesulfonate;MFCD09997709;METHANESULFONIC ACID, 1,1,1-TRIFLUORO-, 3,6-DIHYDRO-2H-PYRAN-4-YL ESTER;3,6-dihydro-2H-pyran-4-yltrifluoromethanesulfonate;trifluoromethanesulfonic acid 3,6-dihydro-2H-pyran-4-yl ester;C6H7F3O4S;SCHEMBL67718;5,6-dihydro-4-trifluoromethylsulfonyloxy-2h-pyran;DTXSID50463409;AMY33671;BCP21757;CS-B0642;AKOS016009293;PB16255;AS-43198;SY097510;FT-0766176;A880482;2,3-dihydro-4-trifluoromethylsulfonyloxy-(6h)-pyran;3,6-dihydro-2H-pyran-4-yl trifluoromethanesulfonic acid ester;Trifluoro-methanesulfonic acid 3,6-dihydro-2H-pyran-4-yl ester

Chemical Property of 3,6-dihydro-2H-pyran-4-yl trifluoromethanesulfonate

Chemical Property:

• Vapor Pressure: 0.019mmHg at 25°C
• Boiling Point: 261.2oC at 760 mmHg
• Flash Point: 111.8oC
• PSA: 60.98000
• Density: 1.53g/cm3
• LogP: 2.23760
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 232.00171436
• Heavy Atom Count: 14
• Complexity: 324

Purity/Quality:

97% ^*data from raw suppliers

3,6-Dihydro-2H-pyran-4-ylTrifluoromethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCC=C1OS(=O)(=O)C(F)(F)F

Technology Process of 3,6-dihydro-2H-pyran-4-yl trifluoromethanesulfonate

There total 10 articles about 3,6-dihydro-2H-pyran-4-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: 98.0%

→ 5,6-dihydro-4-trifluoromethylsulfonyloxy-2H-pyran (188975-30-6)

Guidance literature:

Reference yield: 78.0%

Tetrahydro-4H-pyran-4-one (29943-42-8,143562-54-3) + 2--5-chloro-pyridine → 5,6-dihydro-4-trifluoromethylsulfonyloxy-2H-pyran (188975-30-6)

Guidance literature:

Tetrahydro-4H-pyran-4-one; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 2h; Inert atmosphere;

2--5-chloro-pyridine; In tetrahydrofuran; hexane; at 0 ℃; for 3h;

DOI:10.1021/ja903946f

Reference yield: 69.0%

Tetrahydro-4H-pyran-4-one (29943-42-8,143562-54-3) + N,N-phenylbistrifluoromethane-sulfonimide (37595-74-7) → 5,6-dihydro-4-trifluoromethylsulfonyloxy-2H-pyran (188975-30-6)

Guidance literature:

Tetrahydro-4H-pyran-4-one; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.5h;

N,N-phenylbistrifluoromethane-sulfonimide; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1021/acs.orglett.9b01048

upstream raw materials:

Tetrahydro-4H-pyran-4-one

2-Methylpentane

N,N-phenylbistrifluoromethane-sulfonimide

N-(5-chloropyridin-2-yl)-1,1,1-trifluoro-N-[(trifluoromethyl)sulphonyl]methanesulphonamide

Downstream raw materials:

4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyran

[4-(3,6-dihydro-2H-pyran-4-yl)-phenyl]-acetic acid ethyl ester

3-(3,6-dihydro-2H-pyran-4-yl)benzonitrile

(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-2-oxo-5-oxazolidinecarboxamide