Description

Bicyclo[2.2.2]Oct-5-En-2-One, 7-Ethenyl-3,3-Dimethyl-, (1R,4R,7S)-Rel- (9Ci) is a high-purity, stereochemically defined bicyclic ketone derivative that serves as a critical chiral building block in advanced organic synthesis. Its unique, rigid molecular framework and defined stereochemistry make it invaluable for constructing complex, three-dimensional molecular architectures with high precision. This compound is essential for research and development chemists in the pharmaceutical and agrochemical industries, particularly for the synthesis of novel active ingredients, chiral ligands, and functional materials.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the development of novel active pharmaceutical ingredients (APIs), especially in central nervous system (CNS) and antiviral drug candidates.
• Agrochemical Synthesis: Used in the research and production of advanced, stereospecific pesticides and herbicides where the defined spatial orientation is crucial for bioactivity.
• Chiral Ligand & Catalyst Precursor: Serves as a foundational structure for developing novel asymmetric catalysts and chiral auxiliaries used in enantioselective synthesis.
• Advanced Material Research: Employed in the synthesis of specialty polymers and organic electronic materials that require rigid, three-dimensional molecular components.
• Academic & Industrial R&D: A valuable tool for methodological development in organic chemistry, enabling studies on stereoselective reactions and molecular recognition.
• Flavor & Fragrance Chemistry: Potential intermediate for creating complex, musky, or woody odorant molecules with specific stereochemical profiles.

Basic Information

Item	Details
Product Name	Bicyclo[2.2.2]Oct-5-En-2-One, 7-Ethenyl-3,3-Dimethyl-, (1R,4R,7S)-Rel- (9Ci)
CAS No.	845293-94-9
Molecular Formula	C12H16O
Molecular Weight	176.26 g/mol
Synonyms	rel-(1R,4R,7S)-7-Ethenyl-3,3-dimethylbicyclo[2.2.2]oct-5-en-2-one; 7-Vinyl-3,3-dimethylbicyclo[2.2.2]oct-5-en-2-one (relative configuration); Bicyclo[2.2.2]oct-5-ene-2-one, 7-ethenyl-3,3-dimethyl-, (1R,4R,7S)-rel-; (rel)-(1R,4R,7S)-7-Ethenyl-3,3-dimethyl-2-bicyclo[2.2.2]octen-5-one; CAS 845293-94-9
EINECS	Contact for details

Quality Control

Our Bicyclo[2.2.2]Oct-5-En-2-One, 7-Ethenyl-3,3-Dimethyl-, (1R,4R,7S)-Rel- (9Ci) is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including chiral purity analysis, to ensure it meets the high standards required for advanced synthetic applications. Certificates of Analysis (COA) detailing identity, purity, and stereochemical composition are provided with every shipment. We can support development projects with custom purity grades and analytical data packages.

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 under an inert atmosphere to prevent potential degradation and moisture uptake.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥97.0% (Area Percent)
Chiral Purity (Chiral HPLC)	≥98.0% de (diastereomeric excess)
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.