ChemicalBook--->CAS DataBase List--->721-63-1

721-63-1

721-63-1 Structure

721-63-1 Structure
IdentificationBack Directory
[Name]

ETHYL 4-(TRIFLUOROMETHYL)PHENYL ACETATE
[CAS]

721-63-1
[Synonyms]

2-[4-(trifluoroMethyl)phenyl]butanoate
Ethyl 4-(trifluoromethyl)benzeneacetate
ETHYL 4-(TRIFLUOROMETHYL)PHENYL ACETATE
ethyl 2-(4-(trifluoromethyl)phenyl)acetate
REF DUPL: Ethyl 4-(trifluoromethyl)phenylacetate
4-(Trifluoromethyl)benzeneacetic acid ethyl ester
(4-TRIFLUOROMETHYL-PHENYL)-ACETIC ACID ETHYL ESTER
Benzeneacetic acid, 4-(trifluoroMethyl)-, ethyl ester
[Molecular Formula]

C11H11F3O2
[MDL Number]

MFCD07779351
[MOL File]

721-63-1.mol
[Molecular Weight]

232.2
Chemical PropertiesBack Directory
[Melting point ]

34-35 °C
[Boiling point ]

104-105 °C(Press: 7 Torr)
[density ]

1.207
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

Solid
[color ]

Colorless
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[HS Code ]

2916340000
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 4-(TRIFLUOROMETHYL)PHENYL ACETATE(721-63-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-Bromobenzotrifluoride

402-43-7

Ethyl potassium malonate

6148-64-7

ETHYL 4-(TRIFLUOROMETHYL)PHENYL ACETATE

721-63-1

General procedure: Under standard Schlenk operating conditions, the reaction system is first evacuated and backfilled three times with dry pure nitrogen. To a pre-dried Schlenk tube fitted with a magnetic stirring bar, palladium catalyst (see Tables 1 to 4 for specific types and amounts), ligand (see Tables 1 to 4), N,N-dimethylpyridin-4-amine (DMAP, see Tables 1 to 4), and monoethyl malonate potassium salt (see Tables 1 to 4) are added sequentially. Subsequently, the reaction tube was evacuated and backfilled with argon, and this process was repeated three times. Under argon protection, p-bromobenzotrifluoride (see Tables 1 through 4) and an appropriate amount of solvent (see Tables 1 through 4) were added via syringe. The reaction tube was sealed and stirred for 10 minutes at room temperature. Afterwards, the reaction tube is connected to a Schlenk line pre-filled with argon and placed in an oil bath preheated to 140-150°C and the reaction is stirred for 20-25 hours. After completion of the reaction, the reaction was cooled to room temperature, the reaction mixture was diluted with ether and the yield of ethyl 4-(trifluoromethyl)phenylacetate was determined by gas chromatography using 1,3-dimethoxybenzene as an internal standard.

[References]

[1] Tetrahedron, 2012, vol. 68, # 9, p. 2113 - 2120
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