1813-29-2

Basic information

• Product Name: Trifluoroacetic acid p-tolyl ester
• Synonyms: Trifluoroacetic acid p-tolyl ester;Acetic acid, 2,2,2-trifluoro-, 4-Methylphenyl ester;4-Methylphenyl trifluoroacetate
• CAS NO: 1813-29-2
• Molecular Formula: C₉H₇F₃O₂
• Molecular Weight: 204.15
• Mol File: 1813-29-2.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 169.51°C (rough estimate)
• Flash Point: 33.6°C
• Appearance: /
• Density: 1.278g/cm³
• Vapor Pressure: 1.94mmHg at 25°C
• Refractive Index: 1.449
• CAS DataBase Reference: Trifluoroacetic acid p-tolyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Trifluoroacetic acid p-tolyl ester(1813-29-2)
• EPA Substance Registry System: Trifluoroacetic acid p-tolyl ester(1813-29-2)

Safety Data

• Hazardous Substances Data: 1813-29-2(Hazardous Substances Data)

Usage

General Description

Trifluoroacetic acid p-tolyl ester is a compound that can be produced by reacting trifluoroacetic acid with p-toluidine. It is a colorless liquid with a strong fruity odor and is commonly used as a reagent in organic synthesis. Trifluoroacetic acid p-tolyl ester is highly volatile and flammable, making it important to handle with care. It is also known to be an irritant to the skin, eyes, and respiratory system, and can cause serious health effects if ingested or inhaled in large quantities. Despite its potential hazards, this compound is valued for its ability to catalyze various chemical reactions in a laboratory setting.

InChI:InChI=1/C9H7F3O2/c1-6-2-4-7(5-3-6)14-8(13)9(10,11)12/h2-5H,1H3

Upstream product

• 106-44-5 p-cresol 
• 407-25-0 trifluoroacetic anhydride 
• 102644-90-6 C₂₈H₇F₃₉O₆Pb 
• 375-85-9 perfluoroheptanoic acid 
• 108-88-3 toluene 
• 16656-82-9 lead (IV) trifluoroacetate 
• 76-05-1 trifluoroacetic acid 
• 134837-20-0 1-methyl-4-oxocyclohexa-2,5-dienecarbonitrile 
• 394-59-2 2,2,2-trifluoro-1-(p-tolyl)ethanone 

Downstream Products

• 70978-57-3 2,2,2-trifluoromethyl-1-(2-hydroxy-5-methylphenyl)ethan-1-one 
• 167955-71-7 R(+)-Methyl-phenyl-phospphinigsaere-p-kresylester 
• 360-92-9 N,N-diethyl-2,2,2-trifluoroacetamide 
• 6140-17-6 4-methylbenzotrifluoride 
• 706-27-4 p-methyl-α,α,α-trifluoromethoxybenzene 
• 106-44-5 p-cresol 
• 76-05-1 trifluoroacetic acid 
• 108-88-3 toluene 
• 70978-48-2 2-Hydroxy-5-methyl-3-nitrotrifluoroacetophenon 
• 70977-83-2 3-Amino-2-hydroxy-5-methyl-trifluoracetophenon 
• 1190130-59-6 4-methyl-2-(trichloroacetyl)phenol 
• 75-89-8 2,2,2-trifluoroethanol 

Relevant articles and documents

Low-water-content diazomethane-d2 and its isotopic assay

A multiple D2O-CH2N2 exchange followed by a final anhydrification with K2CO3 gave an alcohol-free low-water-content ether solution of CD2N2. Procedural improvements for the excha

Halogenation of fluorinated cyclic 1,3-dicarbonyl compounds: new aspects of synthetic application

In order to elaborate on an approach towards 2-(fluoroacyl)phenols being the superior alternative to the conventional Fries-rearrangement based methodology, the behaviour of cyclic fluorinated 1,3-dicarbonyls in reactions with halogenating agents was examined. The synthetic relevance of the polyhalogenated compounds obtained was demonstrated by the synthesis of several new heterocycles. An aromatization via a halogenation-dehydrohalogenation sequence proved to be a rewarding synthetic route to 2-(fluoroacyl)phenols and previously unknown 3-(fluoroacyl)thiochromones. The structure of one of the synthesized compounds was confirmed by X-ray diffraction analysis.

A new finding in selective Baeyer-Villiger oxidation of α-fluorinated ketones; a new and practical route for the synthesis of α-fluorinated esters

α-Fluorinated esters were effectively prepared by the Baeyer-Villiger oxidation of α-fluorinated ketones with m-chloroperbenzoic acid (m-CPBA) under mild conditions. The yield of the esters was influenced by the choice of solvent, base, and substituent on the aryl group of the ketones. 4-Methoxyphenyl substituted fluoroketones were oxidized almost quantitatively with m-CPBA within 10 min to 12 h at room temperature using 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) as a cosolvent with CH2Cl2 (1:1, v/v) and aqueous buffer (KH2PO4-NaOH, pH 7.6) as an additive base. The oxidation reaction rates of α-fluorinated ketones were higher than those of the corresponding non-fluorinated ketones. The fluorine atom at α-position of fluoromethyl aryl ketones enhanced the reactivity in the Baeyer-Villiger oxidation.