2,2,3,3-Tetrafluoropropyl trifluoromethanesulfonate

Base Information

• Chemical Name: 2,2,3,3-Tetrafluoropropyl trifluoromethanesulfonate
• CAS No.: 6401-02-1
• Molecular Formula: C4H3F7O3S
• Molecular Weight: 264.121
• Hs Code.: 2905590090
• European Community (EC) Number: 689-338-3
• DSSTox Substance ID: DTXSID20396477
• Wikidata: Q81985920
• Mol file: 6401-02-1.mol

Synonyms:2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate;6401-02-1;1H,1H,3H-Perfluoropropyl triflate;2,2,3,3-Tetrafluoropropyl trifluoromethane-sulfonate;1H,1H,3H-Tetrafluoropropyl triflate;SCHEMBL977331;2,2,3,3-TETRAFLUOROPROPYLTRIFLUOROMETHANESULFONATE;DTXSID20396477;MFCD02093338;AKOS015853027;CS-0261098;FT-0676250;EN300-77088;2,2,3,3-Tetrafluoroproyl trifluoromethanesulfonate;2,2,3,3-tetra-fluoropropyl trifluoromethanesulfonate;trifluoro-methanesulphonic acid 2,2,3,3-tetrafluoropropyl ester

Chemical Property of 2,2,3,3-Tetrafluoropropyl trifluoromethanesulfonate

Chemical Property:

• Vapor Pressure: 1.09mmHg at 25°C
• Melting Point: 114-118 °C
• Refractive Index: 1.3203
• Boiling Point: 122-125/737mm
• Flash Point: 64.4°C
• PSA: 51.75000
• Density: 1.644g/cm³
• LogP: 2.83380
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 263.96911226
• Heavy Atom Count: 15
• Complexity: 299

Purity/Quality:

99% ^*data from raw suppliers

2,2,3,3-Tetrafluoropropyl trifluoromethanesulfonate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi,T
• Hazard Codes: C,Xi,T

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2,3,3-Tetrafluoropropyl trifluoromethanesulfonate

There total 7 articles about 2,2,3,3-Tetrafluoropropyl 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: 88.0%

2,2,3,3-tetrafluoropropanol (76-37-9) + Trifluoromethanesulfonyl fluoride (335-05-7) → 1,1,2,2-tetrafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane (82914-35-0) + 1,1,2,2,3-pentafluoropropane (679-86-7) + 2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate (6401-02-1)

Guidance literature:

With ammonia; tetra-n-propylammonium bromide; In water; at 0 - 6 ℃; for 5h; Product distribution / selectivity;

Reference yield: 85.1%

2,2,3,3-tetrafluoropropanol (76-37-9) + trifluoromethylsulfonic anhydride (358-23-6) → 2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate (6401-02-1)

Guidance literature:

at 0 - 75 ℃; for 4h; Temperature; Time; Concentration;

Reference yield: 71.0%

2,2,3,3-tetrafluoropropanol (76-37-9) + Trifluoromethanesulfonyl fluoride (335-05-7) + triethylamine (121-44-8) → 2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate (6401-02-1) + triethylamine hydrofluoride (23588-89-8,29585-72-6,94527-74-9)

Guidance literature:

In dichloromethane;

DOI:10.1021/jo01023a511

upstream raw materials:

2,2,3,3-tetrafluoropropanol

Trifluoromethanesulfonyl fluoride

trifluoromethylsulfonic anhydride

trifluoromethane sulfonyl chloride

Downstream raw materials:

1,1,2,2-tetrafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane

5-amino-6-(3-chloro-2-fluoro-5-trifluoromethyphenyl)-2,3-dihydro-3-imino-2-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazine trifluoromethanesulphonate

Refernces

• 1、 -. "Process for preparing substituted 5-fluoro-1H-pyrazolopyridines". Paragraph 0160; 0161; 0162. . Retrieved 2013/06/26.
• 2、 -. "METHOD FOR PRODUCTION OF FLUOROALYKYLFLUOROALKANE-SULFONATE". Page/Page column 11; 13. . Retrieved 2008/06/13.