93618-66-7

Basic information

• Product Name: METHYL 3-(TRIFLUOROMETHYL)BENZOYLACETATE
• Synonyms: 3-OXO-3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID METHYL ESTER;METHYL 3-(TRIFLUOROMETHYL)BENZOYLACETATE;BUTTPARK 18\10-42;Methyl 3-trifluoromethylbenzoylacetate,95%;Methyl [3-(trifluoromethyl)benzoyl]acetate, 3-(3-Methoxy-3-oxopropanoyl)benzotrifluoride;Methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate
• CAS NO: 93618-66-7
• Molecular Formula: C₁₁H₉F₃O₃
• Molecular Weight: 246.18
• Product Categories: Benzoic acid
• Mol File: 93618-66-7.mol
• Article Data: 7

Chemical Properties

• Melting Point: 94-96°C
• Boiling Point: 94-96 °C (0.2 mmHg)
• Flash Point: 101.2 °C
• Appearance: Clear light yellow/Liquid
• Density: 1.289 g/cm³
• Vapor Pressure: 0.0239mmHg at 25°C
• Refractive Index: 1.4864-1.4884
• CAS DataBase Reference: METHYL 3-(TRIFLUOROMETHYL)BENZOYLACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 3-(TRIFLUOROMETHYL)BENZOYLACETATE(93618-66-7)
• EPA Substance Registry System: METHYL 3-(TRIFLUOROMETHYL)BENZOYLACETATE(93618-66-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-25-24
• HazardClass: IRRITANT
• Hazardous Substances Data: 93618-66-7(Hazardous Substances Data)

Usage

Chemical Properties

White to light yellow crystal powder

InChI:InChI=1/C11H9F3O3/c1-17-10(16)6-9(15)7-3-2-4-8(5-7)11(12,13)14/h2-5H,6H2,1H3

Upstream product

• 616-38-6 carbonic acid dimethyl ester 
• 349-76-8 3'-(trifluoromethyl)acetophenone 
• 38330-80-2 monomethyl monopotassium malonate 
• 2251-65-2 3-(Trifluoromethyl)benzoyl chloride 
• 79-20-9 acetic acid methyl ester 
• 76783-59-0 ethyl 3-(trifluoromethyl)benzoate 
• 2557-13-3 3-trifluoromethylbenzoic acid methyl ester 

Downstream Products

• 445491-46-3 methyl 3-(3-(trifluoromethyl)phenyl)propiolate 
• 294856-02-3 methyl 3-(3-(trifluoromethyl)phenyl)propanoate 
• 32577-69-8 3-(3-(trifluoromethyl)phenyl)isoxazol-5(4H)-one 
• 1620519-32-5 (E)-3-benzylamino-3-phenyl-2-(3-trifluoromethylbenzoyl)acrylic acid methyl ester 
• 1620519-33-6 (Z)-3-benzylamino-3-phenyl-2-(3-trifluoromethylbenzoyl)acrylic acid methyl ester 
• 1452793-26-8 4-[1-aminomethylidene]-2-benzothiazol-2-yl-5-(3-trifluoromethylphenyl)-2,4-dihydropyrazol-3-one 
• 1452793-31-5 2-benzothiazol-2-yl-4-[1-dimethylaminomethylidene]-5-(3-trifluoromethylphenyl)-2,4-dihydropyrazol-3-one 
• 1452793-29-1 2-benzothiazol-2-yl-5-(3-trifluoromethylphenyl)-1,2-dihydropyrazol-3-one 
• 1452793-23-5 2-(6-methoxybenzothiazol-2-yl)-5-(3-trifluoromethylphenyl)-1,2-dihydropyrazol-3-one 
• 1452922-57-4 methyl 3-(3-(trifluoromethyl)phenyl)-2-(4,5-dimethyl-2-(pivalamido)phenyl)-3-oxopropanoate 
• 1007873-61-1 2-acetylamino-3-oxo-3-(3-trifluoromethyl-phenyl)-propionic acid methyl ester 
• 1257439-22-7 5-(3-trifluoromethylphenyl)-1H,4H-pyrazolo[1,5-a]pyrimidine-2,7-dione 
• 500187-60-0 2-(2-chloro-phenyl)-6-[2-(3-trifluoromethyl-phenyl)-imidazo[1,2-a]pyridin-3-yl]-4,5-dihydro-2H-pyridazin-3-one 

Relevant articles and documents

Palladium Catalyzed Ring Expansion Reaction of Isoxazolones with Isocyanides: Synthesis of 1,3-Oxazin-6-One Derivatives

A palladium catalyzed ring expansion reaction of isoxazolones with isocyanides was disclosed. In the reaction, a cascade process involving ring-opening/cyclization was suggested. The reaction features high atomic economy due to no elimination of CO2 occurred. Moreover, products obtained demonstrate aggregation-induced emission properties with relatively high solid-state emission efficiencies. (Figure presented.).

Synthesis of trifluoromethylated 2H-azirines through Togni reagent-mediated trifluoromethylation followed by PhIO-mediated azirination

The reaction of enamine compounds with the Togni reagent in the presence of CuI afforded β-trifluoromethylated enamine intermediates, which were converted directly to biologically interesting trifluoromethylated 2H-azirines by an iodosobenzene (PhIO)-mediated intramolecular azirination in a one-pot process.

METHOD FOR PRODUCING PHENYLALKANE-1-OLS

The present invention relates to a process for preparing phenylalkan-1-ols in three stages, where an ester condensation in the presence of alkali metal or alkaline earth metal alcoholates is carried out in the first stage.