383-66-4

Basic information

• Product Name: Acetic acid, 2,2,2-trifluoro-, propyl ester
• Synonyms: Acetic acid, 2,2,2-trifluoro-, propyl ester
• CAS NO: 383-66-4
• Molecular Formula: C₅H₇F₃O₂
• Molecular Weight: 156.1030896
• Mol File: 383-66-4.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 82.5°C (rough estimate)
• Appearance: /
• Density: 1.1285
• Vapor Pressure: 81.5mmHg at 25°C
• Refractive Index: 1.3233
• CAS DataBase Reference: Acetic acid, 2,2,2-trifluoro-, propyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Acetic acid, 2,2,2-trifluoro-, propyl ester(383-66-4)
• EPA Substance Registry System: Acetic acid, 2,2,2-trifluoro-, propyl ester(383-66-4)

Safety Data

• Hazardous Substances Data: 383-66-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C5H7F3O2/c1-2-3-10-4(9)5(6,7)8/h2-3H2,1H3

Upstream product

• 76-05-1 trifluoroacetic acid 
• 143885-02-3 propyloxy(diphenyl)-λ⁶-sulfanenitrile 
• 74-98-6 propane 
• 106-97-8 n-butane 
• 201230-82-2 carbon monoxide 

Relevant articles and documents

Aerobic Partial Oxidation of Alkanes Using Photodriven Iron Catalysis

Photodriven oxidations of alkanes in trifluoroacetic acid using commercial and synthesized Fe(III) sources as catalyst precursors and dioxygen (O2) as the terminal oxidant are reported. The reactions produce alkyl esters and occur at ambient temperature in the presence of air, and catalytic turnover is observed for the oxidation of methane in a pure O2 atmosphere. Under optimized conditions, approximately 17% conversion of methane to methyl trifluoroacetate at more than 50% selectivity is observed. It is demonstrated that methyl trifluoroacetate is stable under catalytic conditions, and thus overoxidized products are not formed through secondary oxidation of methyl trifluoroacetate.

Selective monooxidation of light alkanes using chloride and iodate

We describe an efficient system for the direct partial oxidation of methane, ethane, and propane using iodate salts with catalytic amounts of chloride in protic solvents. In HTFA (TFA = trifluoroacetate), >20% methane conversion with >85% selectivity for MeTFA have been achieved. The addition of substoichiometric amounts of chloride is essential, and for methane the conversion increases from 20%. The reaction also proceeds in aqueous HTFA as well as acetic acid to afford methyl acetate. 13C labeling experiments showed that less than 2% of methane is overoxidized to 13CO2 at 15% conversion of 13CH4. The system is selective for higher alkanes: 30% ethane conversion with 98% selectivity for EtTFA and 19% propane conversion that is selective for mixtures of the mono- and difunctionalized TFA esters. Studies of methane conversion using a series of iodine-based reagents [I2, ICl, ICl3, I(TFA)3, I2O4, I 2O5, (IO2)2S2O 7, (IO)2SO4] indicated that the chloride enhancement is not limited to iodate.

Catalytic oxidation of hydrocarbons of natural and oil gas

Alkane oxidation by O2 and CO in the presence of Rh-, Pd-, and Pt-containing catalytic systems leads to the product of C-H bond oxidation and the products of C-C bond oxidative destruction. A deuterated methyl group in acetic acid is observed in the oxidation of n-propane in a deuterium-donor medium. The possible mechanisms of alkane C2-C4 conversion are proposed.