400-52-2

Basic information

• Product Name: T-BUTYL TRIFLUOROACETATE
• Synonyms: tert-Butyltrifluoroacetate98%;TERT-BUTYL TRIFLUOROACETATE;T-BUTYL TRIFLUOROACETATE;Acetic acid, trifluoro-, tert-butyl ester;Trifluoroacetic acid tert-butyl ester;2,2,2-trifluoroacetic acid tert-butyl ester;tert-butyl 2,2,2-trifluoroacetate;tert-butyl 2,2,2-trifluoroethanoate
• CAS NO: 400-52-2
• Molecular Formula: C₆H₉F₃O₂
• Molecular Weight: 170.13
• Mol File: 400-52-2.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 83°
• Flash Point: °C
• Appearance: /
• Density: 1.1046 (estimate)
• Vapor Pressure: 76.8mmHg at 25°C
• Refractive Index: 1.3300
• CAS DataBase Reference: T-BUTYL TRIFLUOROACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: T-BUTYL TRIFLUOROACETATE(400-52-2)
• EPA Substance Registry System: T-BUTYL TRIFLUOROACETATE(400-52-2)

Safety Data

• Hazard Codes: F
• Hazardous Substances Data: 400-52-2(Hazardous Substances Data)

Usage

Uses

t-Butyl trifluoroacetate is used in the method of producing elastic fluorohydrocarbon resin.

InChI:InChI=1/C6H9F3O2/c1-5(2,3)11-4(10)6(7,8)9/h1-3H3

Upstream product

• 60-29-7 diethyl ether 
• 96-63-9 trifluoroacetic anhydride 
• 75-65-0 tert-butyl alcohol 
• 1975-14-0 2,4,6,2',4',6'-hexa-tert-butyl-4,4'-peroxy-bis-cyclohexa-2,5-dienone 
• 112371-50-3 trans-1-t-butylperoxy-3-iodo-cyclopentane 
• 136773-18-7 1-bromo-3-t-butylperoxycyclopentane 
• 407-25-0 trifluoroacetic anhydride 
• 507-20-0 tertiary butyl chloride 
• 2712-78-9 bis-[(trifluoroacetoxy)iodo]benzene 
• 107-47-1 sulfure de di tert-butyle 

Downstream Products

• 75-46-7 trifluoromethan 
• 14477-72-6 trifluoroacetate 
• 115-11-7 isobutene 
• 79-20-9 acetic acid methyl ester 
• 431-47-0 trifluoroacetic acid-methyl ester 

Relevant articles and documents

Oxidative Fragmentation of Saturated Hydrocarbons. II. Oxidative Fragmentation of 1,3,5-Trimethyladamantane

Oxidation of 1,3,5-trimethyladamantane and 7-hydroxy-1,3,5-trimethyladamantane by perfluoroperoxybutyric acid in perfluorobutyric acid is accompanied by fragmentation of the adamantane polyhedron with formation of cis-1,3,5-trimethyl-cis-3,5-bis(perfluorobutanoyloxymethyl)cyclohexaneacetic acid. The reaction of tert-butyl alcohol with perfluoroperoxyacetic acid simulates well the process of oxidative fragmentation of adamantane and its derivatives. The mechanisms of these transformations are discussed.

CONVERSION OF BICYCLOPENTANE INTO 2,3-DIOXABICYCLOHEPTANE VIA t-BUTYL PEROXYMERCURIATION

Bicyclopentane has been converted in 45 percent yield into 2,3-dioxabicycloheptane by the sequence t-butyl peroxymercuriation, iodomercuriation, epimerisation of the resultant 1-t-butylperoxy-3-iodocyclopentane, and reaction of the trans isomer with silver trifluoroacetate.

Oxidative Displacement of Halogen from Alkyl Halides by Phenyliodine(III) Dicarboxylates

The reaction of alkyl iodides with aryliodine(III) dicarboxylates affords as the main product the ester derived through substitution of iodine by an acyloxy group; in some cases α-iodoalkyl esters are also formed along with other minor products.Certain reactive bromides and chlorides react along similar lines.The mechanism of these reactions is briefly discussed.