2,2,3,3,3-Pentafluoropropyl trifluoromethanesulfonate

Base Information

• Chemical Name: 2,2,3,3,3-Pentafluoropropyl trifluoromethanesulfonate
• CAS No.: 6401-00-9
• Molecular Formula: C4H2 F8 O3 S
• Molecular Weight: 282.111
• Hs Code.: 2905590090
• European Community (EC) Number: 805-616-0
• DSSTox Substance ID: DTXSID60379769
• Nikkaji Number: J969.264I
• Wikidata: Q81985814
• Mol file: 6401-00-9.mol

Synonyms:2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate;6401-00-9;2,2,3,3,3-Pentafluoropropyl triflate;3H,3H-Perfluoropropyl triflate;2,2,3,3,3-PENTAFLUOROPROPYLTRIFLUOROMETHANESULFONATE;2,2,3,3,3-Pentafluoropropyltriflate;SCHEMBL694351;DTXSID60379769;MFCD01862006;AKOS015853026;2,2,3,3,3,-pentafluoropropyl triflate;EN300-781713;F88043;A937684;2,2,3,3,3-pentafluoropropyltrifluoromethane sulfonate;2,2,3,3,3-pentafluoropropyl trifluoromethane sulfonate;trifluoro-methanesulfonic acid 2,2,3,3,3-pentafluoro-propyl ester;trifluoro-methanesulphonic acid 2,2,3,3,3-pentafluoropropyl ester;Trifluoromethanesulfonic acid 2,2,3,3,3-pentafluoropropyl ester

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

Chemical Property:

• Vapor Pressure: 17.4mmHg at 25°C
• Refractive Index: 1.3012
• Boiling Point: 102-105°C
• Flash Point: 27.4°C
• PSA: 51.75000
• Density: 1.702g/cm³
• LogP: 3.13100
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 281.95969039
• Heavy Atom Count: 16
• Complexity: 332

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: C,T
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 5 articles about 2,2,3,3,3-Pentafluoropropyl 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: 97.0%

2,2,3,3,3-pentafluoropropyl alcohol (422-05-9) + trifluoromethylsulfonic anhydride (358-23-6) → 2,2,3,3,3-pentafluoropropyl triflate (6401-00-9)

Guidance literature:

at 90 ℃;

Reference yield: 77.0%

2,2,3,3,3-pentafluoropropyl alcohol (422-05-9) + Trifluoromethanesulfonyl fluoride (335-05-7) + triethylamine (121-44-8) → 2,2,3,3,3-pentafluoropropyl triflate (6401-00-9) + triethylamine hydrofluoride (23588-89-8,29585-72-6,94527-74-9)

Guidance literature:

In dichloromethane;

DOI:10.1021/jo01023a511

Reference yield:

2,2,3,3,3-pentafluoropropyl alcohol (422-05-9) + trifluoromethane sulfonyl chloride (421-83-0) + triethylamine (121-44-8) → 2,2,3,3,3-pentafluoropropyl triflate (6401-00-9) + triethylamine hydrofluoride (23588-89-8,29585-72-6,94527-74-9)

Guidance literature:

In dichloromethane;

upstream raw materials:

2,2,3,3,3-pentafluoropropyl alcohol

Trifluoromethanesulfonyl fluoride

trifluoromethylsulfonic anhydride

trifluoromethane sulfonyl chloride

Downstream raw materials:

9-(2,4-dimethoxybenzyl)-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7-(2,2,3,3,3-pentafluoropropyl)-7,9-dihydro-8H-purin-8-one

C₂₃H₁₄F₉NO₂

1-bromo-4-(2,2,3,3,3-pentafluoropropoxy)benzene

1-Bromo-2fluoro-4-(2,2,3,3,3-pentafluoro-propoxy)-benzene

Refernces

• 1、 Song, Hai-Xia,Wang, Shi-Meng,Wang, Xiao-Yan,Han, Jia-Bin,Gao, Ying,Jia, Su-Jiao,Zhang, Cheng-Pan. "Solvent-free synthesis of alkyl and fluoroalkyl sulfonium salts from sulfides and fluoroalkyl trifluoromethanesulfonates". . p. 131 - 140. Retrieved 2016/11/19.
• 2、 -. "AMIDINE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL". Page/Page column 127-128. . Retrieved 2012/07/14.