1161004-61-0

Basic information

• Product Name: Methyl6,6,6-trifluoro-5-oxohexanoate
• Synonyms: Methyl6,6,6-trifluoro-5-oxohexanoate
• CAS NO: 1161004-61-0
• Molecular Formula: C7H9F3O3
• Molecular Weight: 198.14
• Mol File: 1161004-61-0.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 186.3±35.0 °C(Predicted)
• Appearance: /
• Density: 1.230±0.06 g/cm3(Predicted)
• CAS DataBase Reference: Methyl6,6,6-trifluoro-5-oxohexanoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl6,6,6-trifluoro-5-oxohexanoate(1161004-61-0)
• EPA Substance Registry System: Methyl6,6,6-trifluoro-5-oxohexanoate(1161004-61-0)

Safety Data

• Hazardous Substances Data: 1161004-61-0(Hazardous Substances Data)

Usage

General Description

Methyl 6,6,6-trifluoro-5-oxohexanoate is a chemical compound that is often used as an intermediate in organic synthesis. It is a colorless liquid with a molecular formula of C7H9F3O3 and a molecular weight of 192.14 g/mol. Methyl6,6,6-trifluoro-5-oxohexanoate is commonly used in the pharmaceutical and agrochemical industries, as well as in the production of certain types of polymers and coatings. It is a highly reactive compound with a strong odor, and it should be handled with appropriate safety precautions due to its potential health hazards.

Upstream product

• 1161004-50-7 C₉H₁₁F₃O₅ 
• 75-72-9 chlorotrifluoromethane 
• 1119-40-0 Dimethyl glutarate 
• 421-50-1 1,1,1-trifluoro-2-propanone 
• 292638-85-8 acrylic acid methyl ester 

Downstream Products

• 1161005-04-4 methyl 3-(2-(trifluoromethyl)-1H-indol-3-yl)propanoate 
• 1161004-97-2 7-(trifluoromethyl)-5,6-dihydro-1H-1,2-diazepin-3(4H)-one 
• 1223418-49-2 methyl 5-(2-(2,4-dinitrophenyl)hydrazono)-6,6,6-trifluorohexanoate 
• 34486-06-1 2-hydroxy-6-trifluoromethylpyridine 
• 1224599-47-6 methyl 6,6,6-trifluoro-5-(phenylimino)hexanoate 

Relevant articles and documents

Preparation method of 2-hydroxy-6-trifluoromethylpyridine

The invention provides a preparation method of 2-hydroxy-6-trifluoromethylpyridine. The method comprises the following steps of: carrying out Grignard reaction on trifluorohalomethane and magnesium powder to prepare a Grignard reagent; reacting the obtained Grignard reagent with 1, 5-glutaric acid diester, and then acidifying to obtain 4-trifluoroacetyl butyrate; then, carrying out cyclization reaction on the 4-trifluoroacetyl butyrate and ammonia to obtain 6-trifluoromethyl-3, 4-dihydropyridine-2-ketone; and then carrying out an oxidation reaction to obtain the 2-hydroxy-6-trifluoromethylpyridine. The raw materials used in the method are cheap, easy to obtain and low in cost; the steps are simple, and the target product can be prepared by only two steps; the operation is simple and easy for industrial operation; reaction conditions are mild and easy to realize; less wastewater is generated, and the method is green, safe and environment-friendly; and the related raw materials and intermediate products are stable, the reaction selectivity is high, byproducts are few, the yield and purity of the target product are high, and the method is suitable for industrial production.

Absolute rate constants for the addition of the 2- (methoxycarbonyl)propan-2-yl and the 3,3,3-trifluoracetonyl radicals to alkenes in solution

Absolute rate constants and some of their Arrhenius parameters were obtained by time-resolved electron spin resonance (ESR) spectroscopy for the addition of the 2-(alkoxycarbonyl)propan-2-yl and 3,3,3-trifluoroacetonyl (= 3,3,3-trifluoro-2-oxopropyl) radicals to a variety of mono- and 1,1- disubstituted alkenes. Their analysis shows that the addition of 2- (alkoxycarbonyl)propan-2-yl is mainly governed by the exothermicity of the reaction with slight modifications by nucleophilic and electrophilic effects giving rise to an overall ambiphilic behavior. In contrast, large electrophilic polar effects dominate the addition of the 3,3,3- trifluoroacetonyl (= 3,3,3-trifluoro-2-oxopropan-2-yl) radical, as it is expected from its large electron affinity. For both radicals, the activation energies are well-predicted by analytic equations for the enthalpic and polar terms. A comparison of the rate data of 2-(alkoxycarbonyl)propan-2-yl with the homo- and copolymerization rate constants of the propagating radical of methyl methacrylate shows that the additions of these structurally related low- and high-molecular-weight radicals to alkenes are governed by very, similar effects.