3854-50-0

Usage

Uses

Used in Pharmaceutical Synthesis:
ETHYL 2-ETHYL-4,4,4-TRIFLUORO-3-OXOBUTYRATE is used as a key intermediate in the synthesis of 2-?(4-?methylsulfonylphenyl) and 2-?(4-?sulfamoylphenyl)?pyrimidines, which are compounds that inhibit cyclooxygenase-?2 (COX-?2). This inhibition is important for the development of anti-inflammatory and pain-relieving medications, as COX-2 is an enzyme involved in the production of prostaglandins, which contribute to inflammation and pain.
Used in Organic Chemistry:
ETHYL 2-ETHYL-4,4,4-TRIFLUORO-3-OXOBUTYRATE is also used in other organic reactions as a reactant. Its unique chemical structure allows it to participate in a variety of reactions, making it a valuable tool for chemists working on the development of new organic compounds and materials. The trifluoromethyl group and the ethyl ester group can be further modified or used as starting points for the synthesis of more complex molecules, expanding the potential applications of ETHYL 2-ETHYL-4,4,4-TRIFLUORO-3-OXOBUTYRATE in various industries.

InChI:InChI=1/C8H11F3O3/c1-3-5(7(13)14-4-2)6(12)8(9,10)11/h5H,3-4H2,1-2H3

Upstream product

• 383-63-1 ethyl trifluoroacetate, 
• 105-54-4 butanoic acid ethyl ester 
• 407-38-5 2,2,2-trifluoroethyl trifluoroacetate 
• 141-75-3 butyryl chloride 
• 354-32-5 trifluoracetyl chloride 
• 60-29-7 diethyl ether 
• 407-25-0 trifluoroacetic anhydride 

Downstream Products

• 346709-64-6 5-ethyl-2-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone 
• 158713-69-0 5-ethyl-2-phenyl-3-(prop-2-ynyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone 
• 383-56-2 1,1,1-trifluoro-pentan-2-one 

Relevant academic research and scientific papers

SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS

The invention relates to substituted thiophenyl uracils of general formula (I) or salts (I) thereof, wherein the groups in general formula (I) are as defined in the description, and to the use thereof as herbicides, in particular for controlling weeds and

SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS

The invention relates to substituted thiophenyl uracils of general formula (I) or the salts (I) thereof, wherein the groups in general formula (I) are as defined in the description, and to the use thereof as herbicides, in particular for controlling weeds and/or weed grasses in crops of cultivated plants and/or as plant growth regulators for influencing the growth of crops of cultivated plants.

Preparation of fluorine-containing methyl or aryl alkyl ketone method

The invention discloses a method for preparing fluorine-containing methyl or alkylaryl ketones, belonging to an organic synthesis field. The method comprises two steps of: ester condensation: ester condensation reaction of an R1COOR2 compound represented by a formula A with a R2COOR2 compound represented by a formula B, is performed to form an R1COCH(R3)COOR2 intermediate represented by a formula C; and ester interchange: R1COCH(R3)COOR2 represented by the formula C is carried out ester interchange reaction with R2COOH under 100-110 DEG C and with catalysis of dilute H2SO4 or a cationic resin, and then decarboxylating to obtain R1COR2 fluorine-containing methyl or alkylaryl ketones represented by a formula D. The R1 group may be CF3-, CF2-, CF- or Ar-; the R2 group may be CH3-, Et- and n-Pr; and the R3 group may be CH3-, Et- and H-. Ester interchange in the invention avoids formation of HOR2 which has a nearly same boiling point with the compound represented by the formula D and is azeotropic with the compound represented by the formula D, enables the compound represented by the formula D to be purified without series rectification operation, and is suitable for large scale production. Simultaneously, ester interchange in the invention greatly raises cost. An ion exchange resin completes ester interchange in a waterless condition, which avoids a de-watering step, and simplifies technologies.

Regiocontrolled synthesis of 3-substituted-6-trifluoromethyl-4(3H)-pyrimidinones

Direct reaction of a variety of N-monosubstituted benzamidines with 4,4,4-trifluoroacetoacetate esters substituted at the 2-position with methyl, ethyl or methoxy afforded moderate to good yields of herbicidal 3-substituted-6-trifluoromethyl-4(3H)-pyrimidinones. Lower yields were obtained with the corresponding 4,4-difluoroacetoacetate esters and the reaction failed with nonfluorinated β-ketoesters. In addition to benzamidines, 3- and 4-pyridylcarboxamidines reacted successfully. The reaction tolerated propyl, allyl, propargyl and phenyl substituents on the amidine nitrogen.

4-Dimethylamino-1-trifluoroacetylpyridinium trifluoroacetate: An efficient reagent for the preparation of trifluoromethyl 1,3-dicarbonyl compounds

Enamines 2 and O-trimethylsilyl ketene acetals 4 are trifluoroacetylated on reaction with the title reagent to yield trifluoroacetyl enamines 3 and trifluoromethylsilylenol ethers 5, respectively. Trifluoromethyl 1,3-diketones 6 and trifluoromethyl β-keto esters 7 are obtained by hydrolysis of compounds 3 and 5.

Process for preparation of fluorinated beta-keto ester

A polyfluoro beta-keto ester is prepared by reacting a polyfluoro acid anhydride or a polyfluorocarboxylic acid chloride with a carboxylic acid chloride in the presence of a tertiary amine.

Benzopyranones, a method for producing them and uses therefor

Novel 2H-1-benzopyran-2-ones (coumarin derivatives) of the general formula (I) are provided: STR1 wherein R1, R2, R3, R4, X and Y are defined as in the specification, and the addition compounds thereof with physiologically compatible acids, intermediates and methods for the preparation thereof. The coumarin compounds possess a neuroprotective and anti-allergic action.