Description

8-Fluoro-2,3,4,5-Tetrahydro-1-Benzoxepin-5-One is a high-purity fluorinated heterocyclic building block of significant interest in advanced organic synthesis. This compound matters because it provides a versatile and reactive scaffold for constructing complex molecules, particularly in the pharmaceutical sector where the introduction of fluorine atoms is a key strategy for modulating bioactivity and metabolic stability. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries for the development of new active ingredients and functional materials. Its unique benzoxepinone structure combined with a fluorine substituent makes it a valuable intermediate for targeted drug discovery programs.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of novel drug candidates, particularly for central nervous system (CNS) and anti-inflammatory targets.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides where the fluorinated scaffold can enhance biological activity and environmental persistence.
• Material Science Precursor: Serves as a monomer or precursor for specialty polymers and advanced organic materials with specific electronic or optical properties.
• Chemical Biology Probes: Employed in the design and synthesis of molecular probes for studying enzyme mechanisms and protein-ligand interactions.
• Fluorine Chemistry Research: A valuable substrate for studying novel fluorination reactions and the development of new synthetic methodologies.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of bespoke compounds for client projects.

Basic Information

Product Name	8-Fluoro-2,3,4,5-Tetrahydro-1-Benzoxepin-5-One
CAS No.	127557-04-4
Molecular Formula	C10H9FO2
Molecular Weight	180.18 g/mol
Synonyms	8-Fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-one; 8-Fluoro-5H-1-benzoxepin-5-one, 2,3,4,5-tetrahydro-; 127557-04-4; 8-Fluoro-2,3,4,5-tetrahydrobenzo[b]oxepin-5-one; 8-Fluorotetrahydrobenzoxepin-5-one; 5H-1-Benzoxepin-5-one, 2,3,4,5-tetrahydro-8-fluoro-; 8-Fluoro-5-oxo-2,3,4,5-tetrahydro-1-benzoxepine
EINECS	Contact for details

Quality Control

Our 8-Fluoro-2,3,4,5-Tetrahydro-1-Benzoxepin-5-One is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC for purity determination, NMR and IR for structural confirmation, and GC/MS for residual solvent analysis, to ensure it meets the high standards required for research and development. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical quality attributes. Our commitment to cGMP principles and regulatory compliance ensures a reliable and consistent supply for your most demanding projects.

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). Keep away from incompatible materials such as strong bases and fluorides. For long-term storage, consider storing under an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm
Residual Solvents (GC)	Complies with ICH Q3C guidelines

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