Description

Butanoic Acid, 4,4,4-Trifluoro-3-Oxo-, Methyl Ester, Radical Ion(1+) (9Ci) is a specialized fluorinated organic compound, identified by CAS NO 488711-09-7, that serves as a key building block and reactive intermediate in advanced synthetic chemistry. Its unique structure, featuring a trifluoromethyl ketone ester moiety in a radical cation form, makes it invaluable for introducing fluorine atoms and specific functional groups into target molecules with high precision. This compound is primarily sought by research and development teams in the pharmaceutical and agrochemical sectors for creating novel active ingredients, as well as by manufacturers of specialty materials and fine chemicals.

Application

• Pharmaceutical Intermediate: A critical precursor in the synthesis of fluorinated drug candidates, particularly for central nervous system (CNS) agents and enzyme inhibitors.
• Agrochemical Synthesis: Used to construct advanced fluorinated herbicides, pesticides, and fungicides, leveraging fluorine's ability to enhance bioavailability and metabolic stability.
• Advanced Material Research: Serves as a monomer or functionalization agent in developing specialty polymers, liquid crystals, and electronic materials with tailored properties.
• Organic Synthesis Reagent: Acts as a versatile electrophile or radical precursor in complex organic transformations, including C–F bond formation and cross-coupling reactions.
• Fluorine Chemistry Studies: Employed in academic and industrial R&D to study the reactivity and effects of fluorinated radical ions and β-ketoester systems.
• Fine Chemical Production: Utilized in the multi-step synthesis of complex fluorinated fragrances, dyes, and other high-value specialty chemicals.

Basic Information

Product Name	Butanoic Acid, 4,4,4-Trifluoro-3-Oxo-, Methyl Ester, Radical Ion(1+) (9Ci)
CAS No.	488711-09-7
Molecular Formula	C5H4F3O3+
Molecular Weight	169.08 g/mol
Synonyms	Methyl 4,4,4-trifluoro-3-oxobutanoate radical cation; Methyl 3-oxo-4,4,4-trifluorobutanoate radical ion(1+); Trifluoromethyl β-ketoester radical cation; 4,4,4-Trifluoroacetoacetic acid methyl ester radical ion; 1-Methoxy-1-oxo-4,4,4-trifluorobutan-2-ylium; CF3C(O)CH2C(O)OCH3+; Fluorinated methyl acetoacetate radical cation; TFMK methyl ester radical ion
EINECS	Contact for details

Quality Control

Our production of Butanoic Acid, 4,4,4-Trifluoro-3-Oxo-, Methyl Ester, Radical Ion(1+) (9Ci) adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity for sensitive synthetic applications. All materials are characterized using advanced analytical techniques including NMR, HPLC, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment, supporting compliance with research and cGMP guidelines where applicable.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). This compound is sensitive to light (store away from light) and may be reactive with strong bases and fluorides; ensure appropriate segregation from incompatible materials. For long-term stability, consider storage under an inert atmosphere.

Specification

Item	Specification
Appearance	Off-white to light yellow solid or solution
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0% (Area %)
Assay (Titration)	Contact for details
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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