Perfluoroallyl fluorosulfate

Base Information

• Chemical Name: Perfluoroallyl fluorosulfate
• CAS No.: 67641-28-5
• Molecular Formula: C3F6O3S
• Molecular Weight: 230.088
• Hs Code.: 2915900090
• European Community (EC) Number: 822-783-5
• DSSTox Substance ID: DTXSID50379773
• Mol file: 67641-28-5.mol

Synonyms:67641-28-5;perfluoroallylfluorosulfate;perfluoroallyl fluorosulfate;Pentafluoroallyl fluorosulfate;1,1,2,3,3-pentafluoro-3-fluorosulfonyloxyprop-1-ene;Pentafluoroallyl fluorosulphate;1,1,2,3,3-pentafluoro-3-fluorosulfonyloxy-prop-1-ene;pentafluoroprop-2-en-1-yl fluoranesulfonate;CF2=CFCF2OSO2F;perfluoroallyl sulfofluoridate;SCHEMBL714496;DTXSID50379773;MFCD02093345;AKOS025117148;1,1,2,3,3-PENTAFLUOROPROP-2-EN-1-YL SULFUROFLUORIDATE

Chemical Property of Perfluoroallyl fluorosulfate

Chemical Property:

• Boiling Point: 63-64°C
• PSA: 51.75000
• Density: 1.751±0.06 g/cm3(Predicted)
• LogP: 2.96850
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 229.94723400
• Heavy Atom Count: 13
• Complexity: 309

Purity/Quality:

99% ^*data from raw suppliers

Perfluoroallylfluorosulfate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=C(F)F)(C(OS(=O)(=O)F)(F)F)F

Technology Process of Perfluoroallyl fluorosulfate

There total 6 articles about Perfluoroallyl fluorosulfate 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: 67.0%

perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) → perfluoroallylfluorosulphate (67641-28-5)

Guidance literature:

With boron trifluoride; sulfur trioxide; at 25 - 37 ℃; for 12h; Autoclave;

DOI:10.3390/molecules16086512

Reference yield: 60.0%

perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) → 1,2,2-trifluoro-2-hydroxy-1-trifluoromethylethanesulfonic acid sultone (773-15-9) + perfluoroallylfluorosulphate (67641-28-5)

Guidance literature:

With boron trifluoride; sulfur trioxide; at 25 ℃; for 60h;

DOI:10.1021/ja00408a066

Reference yield: 21.0%

perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) → 1,2,2-trifluoro-2-hydroxy-1-trifluoromethylethanesulfonic acid sultone (773-15-9) + perfluoroallylfluorosulphate (67641-28-5) + (Z)-tetrafluoropropenediyl 1,3-bis(fluorosulfate) (77212-24-9) + (E)-tetrafluoropropenediyl 1,3-bis(fluorosulfate) (77212-25-0)

Guidance literature:

With boron trifluoride; sulfur trioxide; Yields of byproduct given; 1.) 25 deg C, 3 d, 2.) 100 deg C, 8 h;

DOI:10.1021/jo00373a023

upstream raw materials:

perfluoropropylene

Downstream raw materials:

perfluoroisopropyl allyl ether

perfluoropropylene

perfluoroallyl iodide

3-Brom-1,1,2,3,3-pentafluor-prop-1-en

Refernces

• 1、 Krespan, Carl G.,Dixon, David A.. "Fluorosulfonation. Insertion of Sulfur Trioxide into Allylic C-F Bonds". . p. 4460 - 4466. Retrieved 2007/10/02.
• 2、 Krespan, Carl G.,England, David C.. "Perfluoroallyl Fluorosulfate, a Reactive New Perfluoroallylating Agent". . p. 5598 - 5599. Retrieved 2007/10/02.