Description

4,4,4-Trifluoro-1-(1-Methyl-1H-Pyrazol-4-Yl)-Butane-1,3-Dione is a specialized fluorinated diketone building block of significant interest in advanced organic synthesis. Its core value lies in its unique trifluoromethylated β-diketone structure, which is highly valuable for introducing fluorine atoms and chelating properties into complex molecular architectures. This compound is primarily needed by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for the development of novel active ingredients.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for molecules requiring a trifluoromethyl group to modulate bioavailability, metabolic stability, and binding affinity.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, where the fluorine atoms can enhance biological activity and environmental persistence.
• Ligand for Metal Complexes: Acts as a chelating agent (β-diketonate) for various transition metals, useful in creating catalysts or materials with specific electronic or magnetic properties.
• Advanced Material Research: Employed in the development of organic electronic materials, such as OLEDs or semiconductors, where fluorinated compounds can improve charge transport and stability.
• Chemical Biology Probes: Useful for synthesizing fluorinated probes and tags used in bioimaging and mechanistic studies due to the distinct properties of the fluorine atom.
• Custom Synthesis & Contract Manufacturing: A critical building block for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) serving the life sciences sector.

Basic Information

Product Name	4,4,4-Trifluoro-1-(1-Methyl-1H-Pyrazol-4-Yl)-Butane-1,3-Dione
CAS No.	1005592-50-6
Molecular Formula	C8H7F3N2O2
Molecular Weight	220.15 g/mol
Synonyms	1-(1-Methyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione; 4,4,4-Trifluoro-1-(1-methyl-1H-pyrazol-4-yl)-1,3-butanedione; 1,3-Butanedione, 4,4,4-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)-; 4,4,4-Trifluoro-1-(1-methylpyrazol-4-yl)butane-1,3-dione; TFMPBD; Trifluoromethyl pyrazolyl diketone
EINECS	Contact for details

Quality Control

Our 4,4,4-Trifluoro-1-(1-Methyl-1H-Pyrazol-4-Yl)-Butane-1,3-Dione is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure high purity and consistent identity. Certificates of Analysis (COA) detailing purity, impurities, and other critical parameters are provided with every shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic (moisture-sensitive) nature, it is recommended to handle the material under a dry inert atmosphere for long-term storage or when opening a new container. Recommended storage temperature: 2-8°C for extended stability.

Specification

Item	Specification
Appearance	White to off-white powder or crystalline solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.