Description

1-(4-Methoxycarbonylphenyl)-4,4,4-Trifluoro-1,3-Butanedione is a specialized fluorinated diketone building block of significant interest in advanced organic synthesis. This compound matters for its unique trifluoromethyl and β-diketone functional groups, which are pivotal for modulating the electronic and steric properties of target molecules. It is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key synthon for the preparation of fluorinated heterocycles, such as pyrazoles and isoxazoles, which are core structures in many drug candidates.
• Agrochemical Synthesis: Used in the development of novel pesticides and herbicides, where the trifluoromethyl group enhances biological activity and metabolic stability.
• Ligand Precursor: Serves as a starting material for the synthesis of β-diketonate metal chelators and catalysts used in coordination chemistry and material science.
• Advanced Material Research: Employed in the creation of fluorinated organic frameworks and polymers with tailored properties for electronic or optical applications.
• Chemical Biology Probe Development: Useful for incorporating fluorinated tags and reporter groups into biomolecules for study.

Basic Information

Product Name	1-(4-Methoxycarbonylphenyl)-4,4,4-Trifluoro-1,3-Butanedione
CAS No.	1076198-42-9
Molecular Formula	C12H9F3O4
Molecular Weight	274.19 g/mol
Synonyms	4,4,4-Trifluoro-1-(4-methoxycarbonylphenyl)butane-1,3-dione; Methyl 4-(4,4,4-trifluoro-3-oxobutanoyl)benzoate; 1-(4-Carbomethoxyphenyl)-4,4,4-trifluoro-1,3-butanedione; 4,4,4-Trifluoro-1-(4-methoxycarbonylphenyl)-1,3-butanedione; 4,4,4-Trifluoro-1-(4-(methoxycarbonyl)phenyl)butane-1,3-dione; 1-(4-Methoxycarbonylphenyl)-4,4,4-trifluorobutane-1,3-dione; 4,4,4-Trifluoro-1-(4-methoxycarbonylphenyl)-1,3-diketobutane
EINECS	Contact for details

Quality Control

Our 1-(4-Methoxycarbonylphenyl)-4,4,4-Trifluoro-1,3-Butanedione is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing to ensure high purity and consistency, meeting the stringent requirements for research and process chemistry. Certificates of Analysis (COA) with detailed chromatographic and spectroscopic data are available upon request to support your quality assurance and regulatory documentation.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). The compound may be moisture-sensitive; keep the container tightly sealed under an inert atmosphere for long-term storage.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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