453-14-5

Basic information

• Product Name: 1,3-DIFLUOROACETONE
• Synonyms: (CH2F)2CO;1,3-Difluoro-2-propanone;1,3-Difluoropropan-2-one;2-Propanone, 1,3-difluoro-;sym-Difluoroacetone;1,3-DIFLUOROACETONE;1,3-Difluoroacetone 98%;1,3-Difluoroacetone98%
• CAS NO: 453-14-5
• Molecular Formula: C₃H₄F₂O
• Molecular Weight: 94.06
• Mol File: 453-14-5.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 101-102°C
• Flash Point: 51℃
• Appearance: /
• Density: 1.3066
• Refractive Index: n20/D1.371
• CAS DataBase Reference: 1,3-DIFLUOROACETONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-DIFLUOROACETONE(453-14-5)
• EPA Substance Registry System: 1,3-DIFLUOROACETONE(453-14-5)

Safety Data

• Hazard Codes: T
• Statements: 10-23/24/25
• Safety Statements: 16-23-36/37/39-45
• RIDADR: 1224
• WGK Germany: 3
• HazardClass: IRRITANT, FLAMMABLE
• Hazardous Substances Data: 453-14-5(Hazardous Substances Data)

Usage

Uses

1,3-Difluoroacetone is used as pharmaceutical intermediate and for chemical research.

Upstream product

• 367-17-9 2,4-difluoro-acetoacetic acid isopropyl ester 
• 459-72-3 ethyl 2-fluoroacetate 
• 363-77-9 ethyl 2,4-difluoro-3-oxobutanoate 
• 453-13-4 1,3-difluoro-2-propanol 

Downstream Products

• 593-53-3 Methyl fluoride 
• 1257048-41-1 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-yl]oxy}-3-nitrophenyl)sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide 
• 1609644-39-4 C₂₀H₂₄F₂N₂O₃ 
• 1609644-63-4 C₂₀H₂₄F₂N₂O₃ 
• 1537171-67-7 1-(4-chloro-2-hydroxyphenyl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutan-1-one 
• 1437052-11-3 2-(2-bromo-4-methylphenyl)-1,3-difluoropropan-2-ol 
• 1437779-92-4 2-(2-bromo-5-methylphenyl)-1,3-difluoropropan-2-ol 
• 75-88-7 1,1,1-trifluoro-2-chloroethane 
• 421-04-5 1-chloro-1,1,2-trifluoroethane 
• 430-63-7 1,1-difluoropropene 
• 354-25-6 2-chloro-1,1,2,2-tetrafluoroethane 

Relevant articles and documents

The mode of toxic action of the pesticide Gliftor: The metabolism of 1,3-difluoroacetone to (-)-erythro-fluorocitrate

The biochemical toxicology of 1,3-difluoroacetone, a known metabolite of the major ingredient of the pesticide Gliftor (1,3-difluoro-2-propanol), was investigated in vivo and in vitro. Rat kidney homogenates supplemented with coenzyme A, ATP, oxaloacetate, and Mg2+ converted 1,3-difluoroacetone to (-)-erythro-fluorocitrate in vitro. Administration of 1,3-difluoroacetone (100 mg kg-1 body weight) to rats in vivo resulted in (-)-erythro-fluorocitrate synthesis in the kidney, which was preceded by an elevation in fluoride levels and followed by citrate accumulation. Animals dosed with 1,3-difluoroacetone did not display the 2-3 hour lag phase in either (-)-erythro-fluorocitrate synthesis or in citrate and fluoride accumulation characteristic of animals dosed with 1,3-difluoro-2-propanol. We demonstrate that the conversion of 1,3-difluoro-2-propanol to 1,3-difluoroacetone by an NAD+-dependent oxidation is the rate-limiting step in the synthesis of the toxic product, (-)-erythro-fluorocitrate from 1,3-difluoro-2-propanol. Prior administration of 4-methylpyrazole (90 mg kg-1 body weight) was shown to prevent the conversion of 1,3-difluoro-2-propanol (100 mg kg-1 body weight) to (-)-erythro-fluorocitrate in vivo and to eliminate the fluoride and citrate elevations seen in 1,3-difluoro-2-propanol-intoxicated animals. However, administration of 4-methylpyrazole (90 mg kg-1 body weight) to rats 2 hours prior to 1,3-difluoroacetone (100 mg kg-1 body weight) was ineffective in preventing (-)-erythro-fluorocitrate synthesis and did not diminish fluoride or citrate accumulation in vivo. We conclude that the prophylactic and antidotal properties of 4-methylpyrazole seen in animals treated with 1,3-difluoro-2-propanol derive from its capacity to inhibit the NAD+-dependent oxidation responsible for converting 1,3-difluoro-2-propanol to 1,3-difluoroacetone in the committed step of the toxic pathway.

Small molecule inhibitors of caspases

The present invention provides compounds having formula (I): and pharmaceutically acceptable derivatives thereof, wherein A, B, D, E, G, J, n, and R1 are as described generally and in classes and subclasses herein, and additionally provides pharmaceutical compositions thereof, and methods for the use thereof as caspase inhibitors and for the treatment of disorders caused by excessive apoptotic activity.

C3 substituted trioxanes useful as antiparasitic drugs

Novel biologically-active 3-substituted trioxanes of the formula STR1 wherein R represents a substituted alkyl or aryl group of 1-20, preferably 1-12, carbon atoms, and methods for the use of biologically-active 3-substituted trioxanes of this formula as antiparasitic agents, particularly for the treatment of malaria.