Description

Benzenepropanoic Acid, α-Fluoro-β-Oxo- (9Ci) is a specialized fluorinated organic compound with the CAS registry number 110574-55-5. This high-value intermediate is critical for introducing the α-fluoro-β-keto acid moiety into complex molecular architectures, enabling precise modulation of biological activity and physicochemical properties. It is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients and advanced materials.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of fluorinated drug candidates, particularly in protease inhibitor and kinase inhibitor research.
• Agrochemical Synthesis: Used in the development of novel herbicides and pesticides, where the fluorine atom enhances metabolic stability and bioavailability.
• Chemical Biology Probes: Serves as a precursor for activity-based probes and fluorogenic substrates used in enzyme mechanism studies.
• Material Science Research: Employed in the creation of specialty polymers and liquid crystals where fluorine incorporation alters electronic and surface properties.
• Peptidomimetics: Facilitates the construction of non-natural amino acid analogs for peptide-based therapeutics.
• Contract Research & Development (CRO/CMO): Supplied to organizations specializing in custom synthesis and process optimization for client projects.

Basic Information

Product Name	Benzenepropanoic Acid, α-Fluoro-β-Oxo- (9Ci)
CAS No.	110574-55-5
Molecular Formula	C9H7FO3
Molecular Weight	182.15 g/mol
Synonyms	3-Oxo-2-fluorobenzenepropanoic acid; 2-Fluoro-3-oxo-3-phenylpropanoic acid; α-Fluoro-β-oxobenzenepropanoic acid; 2-Fluoro-3-oxo-3-phenylpropionic acid; (2-Fluoro-3-oxo-3-phenyl)propanoic acid; Phenyl 2-fluoro-3-oxopropanoate (related); Fluorobenzoylacetic acid derivative
EINECS	Contact for details

Quality Control

Our Benzenepropanoic Acid, α-Fluoro-β-Oxo- (9Ci) is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical characterization to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with each shipment, which includes data from HPLC, NMR (¹H, ¹⁹F, ¹³C), and mass spectrometry. Our quality commitment supports applications requiring high-purity intermediates for research and development.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed after opening to prevent moisture absorption, which can affect stability and purity. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.1%

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