Methyl 4-(trifluoromethyl)benzoylacetate

Methyl 4-(trifluoromethyl)benzoylacetate - Names and Identifiers

Name	Methyl 4-(trifluoromethyl)benzoylacetate
Synonyms	2-METHOXYBENZYLHYDRAZINE DIHYDROCHLORIDE Methyl 4-(trifluoromethyl)benzoylacetate Methyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate Methyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate Benzenepropanoic acid, beta-oxo-2-(trifluoromethyl)-, methyl ester Methyl [4-(trifluoromethyl)benzoyl]acetate, 4-(3-Methoxy-3-oxopropanoyl)benzotrifluoride
CAS	212755-76-5
InChI	InChI=1/C11H9F3O3/c1-17-10(16)6-9(15)7-4-2-3-5-8(7)11(12,13)14/h2-5H,6H2,1H3

Methyl 4-(trifluoromethyl)benzoylacetate - Physico-chemical Properties

Molecular Formula	C11H9F3O3
Molar Mass	246.18
Density	1.3318 (estimate)
Melting Point	58-61
Boling Point	277.4±40.0 °C(Predicted)
Flash Point	114.5°C
Vapor Presure	0.00638mmHg at 25°C
Appearance	Crystalline Powder
Color	Yellow
pKa	9.06±0.25(Predicted)
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.459

Methyl 4-(trifluoromethyl)benzoylacetate - Risk and Safety

Hazard Symbols	Xi - Irritant
Safety Description	24/25 - Avoid contact with skin and eyes.
HS Code	29183000
Hazard Class	IRRITANT

Methyl 4-(trifluoromethyl)benzoylacetate - Reference Information

Application

4-trifluoromethylbenzoyl methyl acetate is a pharmaceutical intermediate, which can be 1-(4-(trifluoromethyl) phenyl) ethyl ketone and dimethyl carbonate are prepared in one step and can be used to prepare anti-tumor compounds.

preparation

1-(4-(trifluoromethyl) phenyl) ethanone (15.27g,81.22 mmol,1.00 equivalent), dimethyl carbonate (50 mL), sodium hydride (5.53g,138.25mmol,1.70 equivalent, 60%) Put into a 500 mL three-neck round bottom flask. The resulting solution was stirred at 25°C for 5 minutes. Concentrate the mixture by evaporation, collect the solids by filtration, and wash with 3 × 50ml H2O to obtain methyl 4-trifluoromethylbenzoylacetate, yellow solid, 19.28g yield, 96%.

Last Update：2024-04-09 21:11:58