Methyl trifluoroacetate

Base Information

• Chemical Name: Methyl trifluoroacetate
• CAS No.: 431-47-0
• Molecular Formula: C3H3F3O2
• Molecular Weight: 128.051
• Hs Code.: 29159080
• European Community (EC) Number: 207-074-5
• DSSTox Substance ID: DTXSID2059988
• Nikkaji Number: J196.119E
• Wikidata: Q66084481
• Mol file: 431-47-0.mol

Synonyms:METHYL TRIFLUOROACETATE;431-47-0;methyl 2,2,2-trifluoroacetate;Acetic acid, trifluoro-, methyl ester;Trifluoroacetic acid methyl ester;methyltrifluoroacetate;EINECS 207-074-5;Acetic acid, 2,2,2-trifluoro-, methyl ester;methyl trifluoracetate;Methyl triflouroacetate;CF3C(O)OCH3;2,2,2-trifluoromethylacetate;methyl2,2,2-trifluoroacetate;Methyl trifluoroacetate, 99%;SCHEMBL111507;DTXSID2059988;AMY3607;C3-H3-F3-O2;MFCD00000417;AKOS005063972;CS-W013477;FT-0628343;T0680;EN300-20643;D78309;Q-102543;F0001-1190

Chemical Property of Methyl trifluoroacetate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 5.77 psi ( 20 °C)
• Melting Point: -78 °C
• Refractive Index: n20/D 1.291(lit.)
• Boiling Point: 40.2 °C at 760 mmHg
• Flash Point: 19 °F
• PSA: 26.30000
• Density: 1.307 g/cm³
• LogP: 0.72170
• Storage Temp.: 0-6°C
• Sensitive.: Moisture Sensitive
• Solubility.: 8g/l
• Water Solubility.: 8 g/L
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 128.00851382
• Heavy Atom Count: 8
• Complexity: 95.2

Purity/Quality:

98% ^*data from raw suppliers

Methyl Trifluoroacetate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Esters
• Canonical SMILES: COC(=O)C(F)(F)F
• Uses: Methyl trifluoroacetate has been used as reagent for trifluoroacetylation of amines and amino acids.

Technology Process of Methyl trifluoroacetate

There total 152 articles about Methyl 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: 93.8%

methanol (67-56-1) + trifluoroacetyl fluoride (354-34-7) → trifluoroacetic acid-methyl ester (431-47-0)

Guidance literature:

With potassium fluoride; at 15 ℃; for 4h; Large scale;

Reference yield: 87.5%

methane (34557-54-5,27936-85-2) + trifluoroacetic acid (76-05-1) → trifluoroacetic acid-methyl ester (431-47-0)

Guidance literature:

methane; With dichlorobis(dimethylsulfoxide)platinum(II); sulfuric acid; sulfur trioxide; at 180 ℃; for 3h; under 15001.5 Torr; Autoclave;

trifluoroacetic acid;

Reference yield: 63.0%

methanol (67-56-1) + 5-bromo-2-methyl-pyridine-N-oxide (31181-64-3) → C2HF3O2*C6H6BrNO (900186-89-2) + trifluoroacetic acid-methyl ester (431-47-0)

Guidance literature:

5-bromo-2-methyl-pyridine-N-oxide; trifluoroacetic anhydride; In ethyl acetate; at 0 - 80 ℃; for 1h;

methanol; In ethyl acetate; at 50 ℃; for 1h;

upstream raw materials:

methanol

trifluoroacetic acid

1,1,1,5,5,5-hexafluoro-3-trifluoromethyl-pentane-2,4-dione

tetraphenyl-bismuth trifluoroacetate

Downstream raw materials:

1,1,1-trifluoro-3-(pyridin-2-yl)propan-2-one

N,N'-di(trifluoroacetyl)-L-lysine methyl ester

diethyl N-(2,2,2-trifluoroacetyl)-L-aspartate

1,1-diphenyl-2,2,2-trifluoroethanol

Refernces

• 1、 Li,Wang,Yu,Ma,Li,Lin. "Direct conversion of methane to methanol over nano-[Au/SiO2] in [Bmim]Cl ionic liquid". . p. 150 - 154. Retrieved 2011.
• 2、 Piao, Dong-Guo,Inoue, Kensuke,Shibasaki, Hiroyasu,Taniguchi, Yuki,Kitamura, Tsugio,Fujiwara, Yuzo. "An efficient partial oxidation of methane in trifluoroacetic acid using vanadium-containing heteropolyacid catalysts". . p. 116 - 120. Retrieved 1999.
• 3、 Ravi, Manoj,van Bokhoven, Jeroen A.. "Homogeneous Copper-Catalyzed Conversion of Methane to Methyl Trifluoroacetate in High Yield at Low Pressure". . p. 2383 - 2386. Retrieved 2018.
• 4、 Yuan, Jiongliang,Liu, Lu,Wang, Lanlan,Hao, Cunjiang. "Partial oxidation of methane with the catalysis of palladium(II) and molybdovanadophosphoric acid using molecular oxygen as the oxidant". . p. 126 - 129. Retrieved 2013.
• 5、 Strassner, Thomas,Ahrens, Sebastian,Muehlhofer, Michael,Munz, Dominik,Zeller, Alexander. "Cobalt-catalyzed oxidation of methane to methyl trifluoroacetate by dioxygen". . p. 3659 - 3663. Retrieved 2013.
• 6、 Blankenship, Andrea N.,Newton, Mark A.,Ravi, Manoj,van Bokhoven, Jeroen A.. "Heterogeneously Catalyzed Aerobic Oxidation of Methane to a Methyl Derivative". . p. 18138 - 18143. Retrieved 2021.
• 7、 -. "Methods for producing a methanol precursor, methanol, and a methyl ester from methane in high purities". Page/Page column 10. . Retrieved 2021/06/02.