Description

Butanoic Acid, 3,3-Difluoro-2-Oxo-, Ethyl Ester is a specialized fluorinated ketoester building block of significant interest in advanced organic synthesis. Its molecular structure, featuring both a difluoromethyl ketone and an ester moiety, makes it a versatile precursor for introducing fluorine atoms into complex molecules, a key strategy for modulating their physical, chemical, and biological properties. This compound is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the development of novel active ingredients.

Application

• Pharmaceutical Intermediate: A key synthon for the preparation of fluorinated drug candidates, particularly protease inhibitors and kinase inhibitors, where fluorine substitution can enhance metabolic stability and bioavailability.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, leveraging fluorine's ability to improve lipophilicity and target binding.
• Advanced Material Precursor: Serves as a building block for fluorinated polymers, liquid crystals, or specialty coatings with unique surface properties and chemical resistance.
• Organic Synthesis Reagent: Employed in nucleophilic addition reactions, cyclocondensations, and as a difluoromethylenation agent to construct complex heterocycles and fluorinated scaffolds.
• Chemical Biology Probe Development: Useful for synthesizing fluorinated analogs of natural products or biochemical probes to study enzyme mechanisms and protein-ligand interactions.

Basic Information

Product Name	Butanoic Acid, 3,3-Difluoro-2-Oxo-, Ethyl Ester
CAS No.	165544-34-3
Molecular Formula	C7H10F2O3
Molecular Weight	180.15 g/mol
Synonyms	Ethyl 3,3-Difluoro-2-oxobutanoate; Ethyl 3,3-Difluoroacetoacetate; 3,3-Difluoro-2-oxobutanoic Acid Ethyl Ester; 2-Oxo-3,3-difluorobutanoic Acid Ethyl Ester; DFAAE; Ethyl 4,4-Difluoro-3-oxobutanoate
EINECS	Contact for details

Quality Control

Our Butanoic Acid, 3,3-Difluoro-2-Oxo-, Ethyl Ester is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including chromatography (HPLC/GC) and spectroscopy (NMR, IR), to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with each shipment. We support cGMP compliance for advanced pharmaceutical applications upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from strong bases and fluorides. The container must be kept tightly closed in a dry environment to minimize moisture absorption.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
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.