2,2,2-TRIFLUOROETHYL ACETATE

Base Information

• Chemical Name: 2,2,2-TRIFLUOROETHYL ACETATE
• CAS No.: 406-95-1
• Molecular Formula: C4H5F3O2
• Molecular Weight: 142.078
• Hs Code.: 2915390090
• Mol file: 406-95-1.mol

Synonyms:Ethanol,2,2,2-trifluoro-, acetate (6CI,7CI,8CI,9CI);2,2,2-Trifluoroethyl acetate;Trifluoroethyl acetate;

Chemical Property of 2,2,2-TRIFLUOROETHYL ACETATE

Chemical Property:

• Refractive Index: 1.3202
• Boiling Point: 44.7 °C at 760 mmHg
• Flash Point: 11 °C
• PSA: 26.30000
• Density: 1.241 g/cm³
• LogP: 1.11180
• Water Solubility.: Soluble in water (16 g/L) (25°C)

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11
• Safety Statements: 16-23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2,2,2-Trifluoroethyl trifluoroacetate is used in the preparation of dimethyl (3,3,3-trifluoro-2,2-dihydroxypropyl)phosphonate

Technology Process of 2,2,2-TRIFLUOROETHYL ACETATE

There total 13 articles about 2,2,2-TRIFLUOROETHYL ACETATE 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: 74.0%

methyl(2,2,2-trifluoro-ethoxo){1,2-bis(diphenylphosphino)ethane}palladium (115981-45-8) → 2,2,2-trifluoroethyl acetate (406-95-1)

Guidance literature:

With carbon monoxide; In tetrahydrofuran; byproducts: Pd(CO)(m)(dpe)n; Addn. of CO (ambient pressure) to metal complex (THF, room temp.), stirring (2 h),; trap-to-trap distn., GLC anal.;

Reference yield:

2,2,2-trifluoroethanol (75-89-8) + 4-nitrophenol acetate (830-03-5) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2,2,2-trifluoroethyl acetate (406-95-1)

Guidance literature:

With dm^-3 phosphate buffer; at 25 ℃; Rate constant; pH 11.60; var. conc. of TFE, also in the presence of cyclodextrins at var conc.;

Reference yield:

2,2,5-Trimethyl-5-(2,2,2-trifluoro-ethoxy)-2,5-dihydro-[1,3,4]oxadiazole (87938-02-1) → 2,2,2-trifluoroethyl acetate (406-95-1) + C7H11F3N2O (87938-13-4) + propan-2-one azine (627-70-3)

Guidance literature:

Further byproducts given; Heating;

DOI:10.1021/jo00176a024

upstream raw materials:

2,2,2-trifluoroethanol

acetyl chloride

1,1,1-trifluoro-2-chloroethane

potassium acetate

Downstream raw materials:

(S)-6-Acetylamino-2-((S)-2-amino-3-phenyl-propionylamino)-hexanoic acid tert-butyl ester

Vinylidene fluoride

(+)-2R-Piperidine-2-carboxylic acid methyl ester

2,2,2-trifluoroethanol

Refernces

• 1、 Zientek, Nicolai,Laurain, Clment,Meyer, Klas,Paul, Andrea,Engel, Dirk,Guthausen, Gisela,Kraume, Matthias,Maiwald, Michael. "Automated data evaluation and modelling of simultaneous 19F-1H medium-resolution NMR spectra for online reaction monitoring". . p. 513 - 520. Retrieved 2016.
• 2、 Lu, Wei,Xie, Kai,Chen, Zhong Xue,Pan, Yi,Zheng, Chun Man. "Preparation and characterization of trifluoroethyl aliphatic carboxylates as co-solvents for the carbonate-based electrolyte of lithium-ion batteries". . p. 110 - 119. Retrieved 2014/05/06.