515845-01-9

Basic information

• Product Name: 2,4-Pentanedione, 1,1,1,3-tetrafluoro-
• Synonyms: 2,4-Pentanedione, 1,1,1,3-tetrafluoro-
• CAS NO: 515845-01-9
• Molecular Formula: C₅H₄F₄O₂
• Molecular Weight: 172.08
• Mol File: 515845-01-9.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2,4-Pentanedione, 1,1,1,3-tetrafluoro-(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-Pentanedione, 1,1,1,3-tetrafluoro-(515845-01-9)
• EPA Substance Registry System: 2,4-Pentanedione, 1,1,1,3-tetrafluoro-(515845-01-9)

Safety Data

• Hazardous Substances Data: 515845-01-9(Hazardous Substances Data)

Usage

Physical State

Colorless liquid

Odor

Strong

Taste

Sweet, buttery

Usage

Flavoring and fragrance agent in food and cosmetic industries

Additional Uses

Solvent in industrial processes, reagent in organic synthesis

Health Risks

Respiratory and skin irritant, potential adverse health effects from prolonged exposure

Regulatory Concerns

Increasing scrutiny and regulation in consumer products

Upstream product

• 367-57-7 1,1,1-Trifluoro-2,4-pentanedione 

Downstream Products

• 515845-42-8 4-fluoro-3-methyl-5-trifluoromethylisoxazole 

Relevant articles and documents

Microwave-mediated pyrazole fluorinations using selectfluor

Microwave-mediated electrophilic fluorinations and a new single-pot condensation en route to ring-fluorinated pyrazoles were examined: chemical equation represented The monofluorination by these methods was successful for a variety of pyrazoles, with yields ranging from 13% to 75%. While electrophilic aromatic fluorination of 3-CF3 pyrazoles proved largely ineffective, development ofa single-pot process overcame this limitation. The microwave-mediated reaction is regioselective; ring fluorination of the heterocycle occurs preferentially over phenyl and alkyl substituents. Alkyl side chain fluorination, when desired, can be modulated by reactant ratios. The single-pot method, which involves acid catalysis by H-TEDA, produces 4-fluoropyrazoles products.

Synthesis of fluorinated heterocycles

Selected 1,3-diketones having a trifluoromethyl group and/or a fluorine in the 2-position were condensed with aromatic hydrazines, hydroxylamine, urea, thiourea, guanidine, and substituted anilines producing pyrazoles, isoxazoles, pyrimidines, and quinolines, respectively, in yields ranging from 27 to 87%.