2,2,2-Trifluoroethyl trifluoromethanesulfonate

Base Information

• Chemical Name: 2,2,2-Trifluoroethyl trifluoromethanesulfonate
• CAS No.: 6226-25-1
• Molecular Formula: C3H2F6O3S
• Molecular Weight: 232.103
• Hs Code.: 29055900
• European Community (EC) Number: 458-390-7,612-977-6
• DSSTox Substance ID: DTXSID1073365
• Nikkaji Number: J969.263K
• Wikidata: Q72511144
• Mol file: 6226-25-1.mol

Synonyms:2,2,2-Trifluoroethyl trifluoromethanesulfonate;6226-25-1;2,2,2-Trifluoroethyltrifluoromethanesulfonate;2,2,2-Trifluoroethyl triflate;Methanesulfonic acid, trifluoro-, 2,2,2-trifluoroethyl ester;C3H2F6O3S;Trifluoromethanesulfonic Acid 2,2,2-Trifluoroethyl Ester;2,2,2-trifluoroethyl trifluoromethane sulfonate;2,2,2-Trifluoroethyl trifluorometanesulfonic acid;MFCD00671579;2,2,2-Trifluoroethyl trifluoromethanesulfonate, 95%;Trifluoroethyltriflate;trifluoroethyl triflate;CF3CH2OTf;trifluoroethanol triflate;CF3CH2OSO2CF3;F3CSO3CH2CF3;2,2,2-trifluoroethyl trifluoromethanesulphonate;SCHEMBL26912;2,2,2-trifluoroethyltriflate;2,2,2-trifluorethyl triflate;DTXSID1073365;AMY6661;C3-H2-F6-O3-S;CS-B0885;trifluoroethyl trifluormethanesulfonate;AKOS005063773;trifluoroethyl trifluoromethanesulfonate;PB47912;trifluoroethyl trifluormethane sulphonate;trifluoroethyl trifluormethane-sulphonate;trifluoroethyl trifluoromethane sulphonate;trifluoroethyl trifluoromethane-sulphonate;AS-11398;LS-90355;FT-0609043;T1604;2,2,2-triflouroethyl trifluoromethanesulfonate;2,2,2-trifluorethyl trifluoromethanesulfonate;2,2,2-trifluoroethyl trifluoromethylsulfonate;2,2,2-trifluoroethyl-trifluoromethylsulphonate;2,2,2-trifluoroethyltrifluoromethanesulphonate;2,2,2-Trifluoroethyltrifluoromethyl sulfonate;2,2,2-trifluroethyl trifluoromethanesulfonate;2.2.2-trifluoroethyl trifluoromethanesulfonate;EN300-31162;2,2,2,-trifluorethyl trifluoromethanesulfonate;2,2,2-trifluoro-ethyl trifluoromethanesulfonate;2,2,2-trifluoroethyl trifluoromethane-sulfonate;2,2,2-trifluoroethyl trifluoromethanesul-fonate;2,2,2-trifluoroethyl-trifluoro-methanesulfonate;2,2,2-Trifluoroethyl-trifluoromethanesulfonate;2,2,2 Trifluoroethyl Trifluoromathane sulfonate;2,2,2-trifluoroethyl trifluoromethane-sulphonate;A936673;J-506759;F0001-1665;Trifluoromethanesulfonic acid-2,2,2-trifluoroethyl ester;trifluoro-methanesulfonic acid 2,2,2-trifluoro-ethyl ester;trifluoro-methanesulfonic acid 2,2,2-trifluoroethyl ester;trifluoro-methanesulphonic acid 2,2,2-trifluoro-ethyl ester;trifluoromethane sulfonic acid 2,2,2-trifluoroethyl ester;trifluoromethanesulfonic acid 2,2,2-trifluoro-ethyl ester;1,1,1-trifluoro-methanesulfonic acid 2,2,2-trifluoro-ethyl ester

Chemical Property of 2,2,2-Trifluoroethyl trifluoromethanesulfonate

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 38.3mmHg at 25°C
• Refractive Index: 1.3037
• Boiling Point: 102.8 °C at 760 mmHg
• Flash Point: 16 °C
• PSA: 51.75000
• Density: 1.679 g/cm³
• LogP: 2.49570
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Solubility.: Chloroform, Methanol (Slightly)
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 231.96288407
• Heavy Atom Count: 13
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

2,2,2-TrifluoroethylTriflate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,T,C
• Hazard Codes: Xi,T,C
• Statements: 36/37/38-34-23/25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Uses: A fluorine-containing alkyl alkanesulfonate with cyctotoxity towards cultured leukemia L1210 cells. 2,2,2-Trifluoroethyl trifluoromethanesulfonate is a powerful trifluoroethylating agent which is useful for synthesis of fluorinated amino acids. It is used as a reagent in thenantioselective preparation of cyclic N-aryl hydroxamic acids via phase-transfer catalyzed alkylation of nitrobenzyl bromides to give nirophenylalanines. Reagent used in thenantioselective preparation of cyclic N-aryl hydroxamic acids via phase-transfer catalyzed alkylation of nitrobenzyl bromides to give nirophenylalanines

Technology Process of 2,2,2-Trifluoroethyl trifluoromethanesulfonate

There total 5 articles about 2,2,2-Trifluoroethyl 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: 86.0%

2,2,2-trifluoroethanol (75-89-8) + trifluoromethane sulfonyl chloride (421-83-0) → 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane (333-36-8) + 2,2,2-trifluoroethyl trifluoromethanesulphonate (6226-25-1)

Guidance literature:

With potassium carbonate; triethylamine; In water; at 13.8 - 21 ℃; for 4 - 5.5h; Product distribution / selectivity;

Reference yield: 82.0%

2,2,2-trifluoroethanol (75-89-8) + trifluoromethane sulfonyl chloride (421-83-0) → 1,1,1-trifluoro-2-chloroethane (75-88-7) + 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane (333-36-8) + 2,2,2-trifluoroethyl trifluoromethanesulphonate (6226-25-1)

Guidance literature:

With potassium carbonate; tetra-n-propylammonium bromide; In water; at 10.2 - 23.3 ℃; for 4 - 7h; Product distribution / selectivity;

Reference yield: 74.0%

2,2,2-trifluoroethanol (75-89-8) + Trifluoromethanesulfonyl fluoride (335-05-7) + triethylamine (121-44-8) → 2,2,2-trifluoroethyl trifluoromethanesulphonate (6226-25-1) + triethylamine hydrofluoride (23588-89-8,29585-72-6,94527-74-9)

Guidance literature:

In dichloromethane;

DOI:10.1021/jo01023a511

upstream raw materials:

2,2,2-trifluoroethanol

trifluoromethane sulfonyl chloride

pyridine

Trifluoromethanesulfonyl fluoride

Downstream raw materials:

1-(dimethylamino)-4-(trifluoromethyl)sulfonylbenzene

4-Dimethylamino-benzolsulfonsaeure-(2,2,2-trifluor-ethylester)

N-[3,5-Dichloro-4-(2,2,2-trifluoro-ethoxy)-phenyl]-C,C,C-trifluoro-methanesulfonamide

C,C,C-Trifluoro-N-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-methanesulfonamide

Refernces