344-00-3

Basic information

• Product Name: ETHYL 2-METHYL-4,4,4-TRIFLUOROACETOACETATE
• Synonyms: ETHYL ALPHA-METHYL-4,4,4-TRIFLUOROACETOACETATE;ETHYL 2-METHYL-4,4,4-TRIFLUOROACETOACETATE;Ethyl_-methyl-4,4,4-trifluoroacetoacetate,tech.;Ethyl 2-methyl-4,4,4-trifluoroacetoacetate, tech;Ethyl2-methyl-3-oxo-4,4,4-trifluorobutyrate~2-Methyl-4,4,4-trifluoroacetoaceticacidethylester;2-methyl-4,4,4-trifluoroacetoacetic acid ethyl ester;ethyl 2-methyl-3-oxo-4,4,4-trifluorobutyrate;ETHYL A-METHYL-4,4,4-TRIFLUOROACETOACETATE TECH
• CAS NO: 344-00-3
• Molecular Formula: C₇H₉F₃O₃
• Molecular Weight: 198.14
• EINECS: -0
• Mol File: 344-00-3.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 144 °C
• Flash Point: 47°C
• Appearance: /
• Density: 1,2 g/cm3
• Vapor Pressure: 2.42mmHg at 25°C
• Refractive Index: 1.374
• Storage Temp.: 2-8°C
• Solubility: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
• PKA: 9.02±0.35(Predicted)
• BRN: 1783620
• CAS DataBase Reference: ETHYL 2-METHYL-4,4,4-TRIFLUOROACETOACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-METHYL-4,4,4-TRIFLUOROACETOACETATE(344-00-3)
• EPA Substance Registry System: ETHYL 2-METHYL-4,4,4-TRIFLUOROACETOACETATE(344-00-3)

Safety Data

• Hazard Codes: F,Xi
• Statements: 10-36/37/38
• Safety Statements: 26-36
• RIDADR: 3272
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 344-00-3(Hazardous Substances Data)

Usage

Description

ETHYL 2-METHYL-4,4,4-TRIFLUOROACETOACETATE is an organic compound that serves as an important intermediate in the synthesis of various chemical compounds. It is characterized by its unique molecular structure, which features a trifluoromethyl group and an ester functional group, making it a versatile building block in the chemical industry.

Uses

Used in Pharmaceutical Industry:
ETHYL 2-METHYL-4,4,4-TRIFLUOROACETOACETATE is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structure allows for the development of new drugs with potential applications in treating a wide range of medical conditions.
Used in Chemical Synthesis:
ETHYL 2-METHYL-4,4,4-TRIFLUOROACETOACETATE is used as a synthetic building block for the preparation of various organic compounds, including 5,6-disubstituted thiopyrimidine aryl aminothiazoles. These compounds have been identified as inhibitors of the calcium-activated chloride channel TMEM16A/Ano1, which may have potential applications in the treatment of various diseases.
Used in Research and Development:
Due to its unique chemical properties, ETHYL 2-METHYL-4,4,4-TRIFLUOROACETOACETATE is also utilized in research and development for the exploration of new chemical reactions and the discovery of novel compounds with potential applications in various industries, such as pharmaceuticals, materials science, and agrochemicals.

InChI:InChI=1/C7H9F3O3/c1-3-13-6(12)4(2)5(11)7(8,9)10/h4H,3H2,1-2H3

Upstream product

• 383-63-1 ethyl trifluoroacetate, 
• 105-37-3 Ethyl propionate 
• 372-31-6 ethyl 4,4,4-trifluoroacetoacetate 
• 74-88-4 methyl iodide 
• 74-83-9 methyl bromide 
• 407-38-5 2,2,2-trifluoroethyl trifluoroacetate 

Downstream Products

• 203061-92-1 (Z)-3-Benzylamino-4,4,4-trifluoro-2-methyl-but-2-enoic acid ethyl ester 
• 854133-21-4 4,4,4-trifluoro-2-methyl-3-oxo-N-phenethyl-butyramide 
• 854133-10-1 N-phenethyl-2-(2-trifluoromethyl-[1,3]dioxolan-2-yl)-propionamide 
• 145433-09-6 3-hydroxy-4-methyl-5-(trifluoromethyl)isoxazole 
• 140239-17-4 4-carbethoxy-4-methyl-3-trifluoromethylcyclohex-2-enone 
• 136425-03-1 Ethyl 4,4,4-trifluoro-2-<2-(1-cyclohexenyl)ethyl>-2-methyl-3-oxobutanoate 
• 91600-33-8 ethyl 4,4,4-trifluoro-3-hydroxy-2-methylbutyrate 
• 147750-19-4 4-hydroxy-2,5-dimethyl-6-(trifluoromethyl)pyrimidine 
• 152595-59-0 1,2-dihydro-4-[(4-methylthiophenyl)-methyl]-5-trifluoromethyl-3H-pyrazol-3-one 
• 121749-58-4 4,4,4-trifluoro-2-(4-methoxy-benzyl)-3-oxo-butyric acid ethyl ester 
• 1018481-19-0 5-methyl-2-(4-methylsulfanylphenyl)-6-trifluoromethylpyrimidin-4-ol 
• 147750-19-4 2,5-dimethyl-6-(trifluoromethyl)-4(3H)-pyrimidinone 

Relevant articles and documents

Method for preparing halogenated methyl substituted pyrazole ring pesticide intermediate

The invention discloses a method for preparing a halogenated methyl substituted pyrazole ring pesticide intermediate, wherein the method comprises the steps: mixing a halogenated or non-halogenated lipid compound A and an alpha-H halogenated or non-halogenated ester compound B, putting into a reactor, stirring, adding a base catalyst in batches to carry out Claisen condensation reaction, heating to 50-80 DEG C, and refluxing for about 1-5 hours, and recovering a solvent; adding an acidic solvent for acidification, cooling to 5-15 DEG C or below, dropwise adding methylhydrazine, keeping the temperature for 0.5-2 hours after completion of dropwise adding, heating to 50-80 DEG C, and keeping the temperature; and carrying out HPLC central control, recovering the acidic solvent, and adding water for desolventizing to obtain the pyrazole ring intermediate. The process disclosed by the invention has the advantages that an intermediate does not need to be separated and purified, the process operation flow is simplified, the reaction time is shortened, the cost is saved, the overall yield is improved, and the process has better production and practical values.

SUBSTITUTED 3-AZABICYCLO[3.1.0]HEXANES AS KETOHEXOKINASE INHIBITORS

Provided herein are substituted 3-azabicyclo[3.1.0]hexanes as ketohexokinase inhibitors, processes to make said compounds, and methods comprising administering said compounds to a mammal in need thereof.

Synthesis and acaricidal activity of strobilurin-pyrimidine derivatives

Pyriminostrobin, a new acaricide, was discovered in our previous studies. Because introducing fluorine into organic compounds can increase bioactivity, pyriminostrobin was modified as a series of strobilurin-pyrimidine derivatives for biological screening. The compounds were characterized by 1H NMR, MS and elemental analysis. Preliminary bioassays demonstrated that compounds 7e and 7i exhibited significant control against Tetranychus cinnabarinus (Boisd.) at 0.625 mg L-1, and their acaricidal potencies were higher than pyriminostrobin in a greenhouse. The relationship between structure and acaricidal activity was also studied.