2,2,2-Trifluoroethyl trifluoroacetate

Base Information

• Chemical Name: 2,2,2-Trifluoroethyl trifluoroacetate
• CAS No.: 407-38-5
• Molecular Formula: C4H2F6O2
• Molecular Weight: 196.049
• Hs Code.: 29159000
• European Community (EC) Number: 206-985-5
• UNII: Z64US2QA96
• DSSTox Substance ID: DTXSID30193676
• Nikkaji Number: J139.767B
• Wikidata: Q66084478
• Mol file: 407-38-5.mol

Synonyms:2,2,2-Trifluoroethyl trifluoroacetate;407-38-5;2,2,2-trifluoroethyl 2,2,2-trifluoroacetate;trifluoroethyl trifluoroacetate;Acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester;C4H2F6O2;Z64US2QA96;Trifluoroacetic Acid 2,2,2-Trifluoroethyl Ester;EINECS 206-985-5;Trifluoroacetic acid 2,2,2-trifluoroethyl ester;CF3CO2CH2CF3;CF3C(O)OCH2CF3;UNII-Z64US2QA96;SCHEMBL668270;DTXSID30193676;C4-H2-F6-O2;MFCD00000418;2,2,2-Trifluoroethyl=trifluoroacetate;AKOS005207047;FS-4383;Trifluoroacetic acid trifluoroethyl ester;CS-0016323;FT-0609042;T1697;ethanol, 2,2,2-trifluoro-, trifluoroacetate;2,2,2-Trifluoroethyl trifluoroacetate, >=98%;D92502;EN300-256600;ACETIC ACID, 2,2,2-TRIFLUORO-, 2,2,2-TRIFLUOROETHYL ESTER

Chemical Property of 2,2,2-Trifluoroethyl trifluoroacetate

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 3.34 psi ( 20 °C)
• Melting Point: -65 °C
• Refractive Index: n20/D 1.277(lit.)
• Boiling Point: 55 °C at 760 mmHg
• Flash Point: 32 °F
• PSA: 26.30000
• Density: 1.498 g/cm³
• LogP: 1.65420
• Storage Temp.: Flammables area
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 195.99589827
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

99% , ^*data from raw suppliers

2,2,2-Trifluoroethyl Trifluoroacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F,C
• Statements: 11-34
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(F)(F)F)OC(=O)C(F)(F)F
• Uses: 2,2,2-Trifluoroethyl trifluoroacetate has been used in the preparation of dimethyl (3,3,3-trifluoro-2,2-dihydroxypropyl)phosphonate.

Technology Process of 2,2,2-Trifluoroethyl trifluoroacetate

There total 12 articles about 2,2,2-Trifluoroethyl trifluoroacetate 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: 87.0%

2,2,2-trifluoroethanol (75-89-8) + trifluoroacetic anhydride (407-25-0) → 2,2,2-trifluoroethyl trifluoroacetate (407-38-5)

Guidance literature:

1.) reflux, 5 h, 2.) RT, overnight;

DOI:10.1021/jo00249a035

Reference yield: 85.0%

1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane (333-36-8) → 2,2,2-trifluoroethyl trifluoroacetate (407-38-5) + 2,2,2-trifluoroethyl formate (32042-38-9)

Guidance literature:

With synthetic air; clorine; at 24.84 ℃; under 759.826 Torr; Further Variations:; Reagents; Kinetics;

DOI:10.1021/es0497330

Reference yield: 79.0%

(PPh3)3CoH(N2) (21373-88-6,16920-54-0) + phenyl trifluoroacetate (500-73-2) → HCo(CO)(P(C6H5)3)3 (53729-69-4,21329-67-9) + phenoxotris(triphenylphosphine)cobalt(I) (91583-66-3) + 2,2,2-trifluoroethyl trifluoroacetate (407-38-5) + nitrogen (7727-37-9)

Guidance literature:

In toluene; CF3CO2Ph added to CoH(N2)(PPh3)3 in toluene in vac., reacted for 1 h at room temp.; liquid phase analysed by GLC; hexane added, ppt. filtered, washed with hexane, dried in vac., recrystd. from C6H6-hexane;

DOI:10.1021/ja00263a007

upstream raw materials:

2,2,2-trifluoroethanol

trifluoroacetic acid

trifluoroacetic anhydride

trifluoroacetyl fluoride

Downstream raw materials:

N,N-diethyl-2,2,2-trifluoroacetamide

2,2,2-trifluoroethanol

trifluoroacetyl fluoride

pentafluoroethyl trifluoroacetate

Refernces

• 1、 Ben-David, Haviv,Iron, Mark A.,Neumann, Ronny. "Platinum complexes of cationic ligands for the aerobic oxidation of "inert" perfluoro-substituted alcohols". supporting information. p. 1720 - 1722. Retrieved 2013/03/14.
• 2、 Pellerite, Mark J.. "UNUSUAL REACTION CHEMISTRY IN THERMAL DECOMPOSITION OF ALKALI METAL 2-ALKOXY-2,3,3,3-TETRAFLUOROPROPIONATE SALTS". . p. 43 - 66. Retrieved 2007/10/02.