Description

2-Oxabicyclo[2.2.2]Oct-7-Ene-5-Carboxylicacid,4-Fluoro-3-Oxo-,Methylester,(1R,4S,5S)-Rel-(9Ci) is a high-value, stereochemically defined bicyclic lactone derivative that serves as a critical chiral building block in advanced organic synthesis. Its unique fused ring structure and fluorine substituent make it an indispensable intermediate for constructing complex molecules with precise three-dimensional architecture. This compound is primarily sought after by pharmaceutical R&D and fine chemical manufacturers for the development of novel active pharmaceutical ingredients (APIs) and other specialty chemicals.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the research and production of novel drug candidates, particularly in therapeutic areas requiring complex, fluorinated molecular scaffolds.
• Asymmetric Synthesis: Utilized as a versatile starting material or intermediate in catalytic asymmetric reactions to introduce stereogenic centers with high enantiomeric purity.
• Medicinal Chemistry Research: Employed in structure-activity relationship (SAR) studies and lead optimization to explore new chemical space in drug discovery programs.
• Fluorine Chemistry: Serves as a valuable substrate for developing new fluorination methodologies or for incorporating the fluorine atom into target molecules to modulate their physicochemical properties.
• Fine Chemical Synthesis: Used in the multi-step synthesis of complex natural product analogs, agrochemicals, and other high-value specialty chemicals.
• Academic & Industrial R&D: A reagent of interest for investigating new reaction pathways and developing novel synthetic methodologies in organic chemistry laboratories.

Basic Information

Product Name	2-Oxabicyclo[2.2.2]Oct-7-Ene-5-Carboxylicacid,4-Fluoro-3-Oxo-,Methylester,(1R,4S,5S)-Rel-(9Ci)
CAS No.	847823-45-4
Molecular Formula	C9H9FO4
Molecular Weight	200.16 g/mol
Synonyms	(1R,4S,5S)-rel-4-Fluoro-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene-5-carboxylic acid methyl ester; Methyl (1R,4S,5S)-rel-4-fluoro-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene-5-carboxylate; 2-Oxabicyclo[2.2.2]oct-7-ene-5-carboxylic acid, 4-fluoro-3-oxo-, methyl ester, (1R,4S,5S)-rel-; Bicyclic Fluorinated Lactone Ester; (rel)-(1R,4S,5S)-Methyl 4-fluoro-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene-5-carboxylate
EINECS	Contact for details

Quality Control

Every batch of this advanced intermediate is produced and analyzed under strict quality management protocols to ensure high chemical and chiral purity, meeting the exacting standards required for pharmaceutical development. Our quality assurance includes comprehensive analytical characterization using techniques such as HPLC, GC, NMR, and chiral analysis. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting identity, purity, and impurity profiles to support your regulatory and R&D needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). The container should be kept tightly sealed in a dry environment to minimize exposure to moisture.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% ee
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.