582-65-0

Basic information

• Product Name: 4,4,4-TRIFLUORO-1-(4-FLUOROPHENYL)BUTANE-1,3-DIONE
• Synonyms: 3-(4-FLUOROBENZOYL)-1,1,1-TRIFLUOROACETONE;AKOS B007342;AKOS MSC-0333;4,4,4-TRIFLUORO-1-(4-FLUOROPHENYL)-1,3-BUTANEDIONE;4,4,4-TRIFLUORO-1-(4-FLUOROPHENYL)BUTANE-1,3-DIONE;ART-CHEM-BB B007342;4,4,4-Trifluoro-1-(4-fluoro-phenyl)-butane-1,3-;2,2,2-Trifluoro-1-(2-fluoro-6-iodo-phenyl)-ethanone
• CAS NO: 582-65-0
• Molecular Formula: C₁₀H₆F₄O₂
• Molecular Weight: 234.15
• Product Categories: Phenyls & Phenyl-Het;Phenyls & Phenyl-Het
• Mol File: 582-65-0.mol
• Article Data: 39

Chemical Properties

• Melting Point: 40-42°C
• Boiling Point: 257°C at 760 mmHg
• Flash Point: 98°C
• Appearance: /
• Density: 1.363g/cm³
• Vapor Pressure: 0.0149mmHg at 25°C
• Refractive Index: 1.448
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 5.61±0.25(Predicted)
• CAS DataBase Reference: 4,4,4-TRIFLUORO-1-(4-FLUOROPHENYL)BUTANE-1,3-DIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4,4-TRIFLUORO-1-(4-FLUOROPHENYL)BUTANE-1,3-DIONE(582-65-0)
• EPA Substance Registry System: 4,4,4-TRIFLUORO-1-(4-FLUOROPHENYL)BUTANE-1,3-DIONE(582-65-0)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 582-65-0(Hazardous Substances Data)

Usage

Uses

4,4,4-Trifluoro-1-(4-fluorophenyl)butane-1,3-dioneis an intermediate in the synthesis of Mavacoxib (M197900) which is a long-acting COX-2 Inhibitor and is developed as a veterinary drug used to treat pain and inflammation with degenerative joint disease for dogs.

InChI:InChI=1/C10H6F4O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-4H,5H2

Upstream product

• 383-63-1 ethyl trifluoroacetate, 
• 403-42-9 1-(4-fluorophenyl)ethanone 
• 450-95-3 2-fluoroacetophenone 

Downstream Products

• 188817-07-4 5-(4-fluorophenyl)-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole 
• 1037590-07-0 ethyl 4-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)-2H-pyran-3-carboxylate 
• 1205603-31-1 (2-Amino-4-trifluoromethyl-thiazol-5-yl)-(4-fluoro-phenyl)-methanone 
• 1037590-14-9 4-(4-fluorophenyl)-6-(trifluoromethyl)-2H-pyran-2-one 
• 625370-80-1 C₁₃H₆F₄N₂S 
• 366022-33-5 6-(4-fluoro-phenyl)-2-oxo-4-trifluoromethyl-1,2-dihydro-pyridine-3-carbonitrile 
• 1581726-12-6 C₁₉H₁₅F₄N₃O₂S 
• 333761-24-3 5-(4-fluorophenyl)-7-trifluoromethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester 

Relevant articles and documents

Biocatalytic Strategy for the Highly Stereoselective Synthesis of CHF2-Containing Trisubstituted Cyclopropanes

The difluoromethyl (CHF2) group has attracted significant attention in drug discovery and development efforts, owing to its ability to serve as fluorinated bioisostere of methyl, hydroxyl, and thiol groups. Herein, we report an efficient biocat

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Selective COX-2 inhibitor celecoxib was found directly inhibiting the growth of tested phytopathogenic fungi with the inhibitory rate ranging from 30 to 40% at 100 μg/ml. Lead optimization of celecoxib led to the identification of compound 12 among its derivatives as the most active antifungal candidate. The antifungal effect of compound 12 was supposed to be independent of COX-2 inhibition. Transcriptome profiling analysis of Fusarium graminearium (PH-1) treated with compound 12 brought about 406 up-regulated and 572 down-regulated differentially express genes (DEGs) respectively.

N-(3-((4-trifluoromethyl)-2-pyrimidinyl)aminophenyl)-2,6-difluorobenzene sulfamide derivative

The invention discloses N-(3-((4-trifluoromethyl)-2-pyrimidinyl)aminophenyl)-2,6-difluorobenzene sulfamide having an anti-tumor activity and a derivative thereof, and synthesis methods thereof. The N-(3-((4-trifluoromethyl)-2-pyrimidinyl)aminophenyl)-2,6-difluorobenzene sulfamide has a structural formula as shown in Formula I. The synthesis method disclosed by the invention comprises the followingsteps: performing nucleophilic substitution on 2,6-difluorobenzenesulfonyl chloride and m-phenylenediamine to obtain sulfonamide; enabling an amino group of N-(3-aminophenyl)-2,6-difluorobenzene sulfamide to react with cyanamide to obtain guanidine salt; then preparing a series of different substituted 1,3-diketone compounds; finally, enabling the guanidine salt to react with 1,3-diketone to forma pyrimidine ring, and ingeniously introducing the anactive group of the pyrimidine ring into a molecular structure. According to the N-(3-((4-trifluoromethyl)-2-pyrimidinyl)aminophenyl)-2,6-difluorobenzene sulfamide and the synthesis method, the antitumor multiplication inhibition activity, the solubility and the like of a compound is adjusted by changing a substituent of the pyrimidine ring, and the compound has the advantage of simple and convenient adjustment.