Description

Bicyclo[2.2.2]Octanone, 5-Ethynyl-, (1R,4R,5S)-Rel- (9Ci) is a high-value, stereochemically defined bicyclic ketone derivative featuring a reactive ethynyl group. This compound serves as a critical chiral building block and advanced intermediate in sophisticated organic synthesis, enabling the construction of complex molecular architectures. It is primarily utilized by research and development teams in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the research and development of new active pharmaceutical ingredients (APIs), particularly in medicinal chemistry programs.
• Agrochemical Synthesis: Used in the creation of novel herbicides, fungicides, and insecticides that require specific three-dimensional structures for biological activity.
• Ligand and Catalyst Development: Serves as a precursor for synthesizing specialized ligands and organocatalysts used in asymmetric synthesis.
• Material Science Research: Employed in the development of advanced polymers and functional organic materials with tailored properties.
• Academic & Industrial R&D: A valuable tool for synthetic organic chemists in universities and corporate R&D labs exploring new chemical reactions and methodologies.

Basic Information

Product Name	Bicyclo[2.2.2]Octanone, 5-Ethynyl-, (1R,4R,5S)-Rel- (9Ci)
CAS No.	697751-11-4
Molecular Formula	C10H10O
Molecular Weight	146.19 g/mol
Synonyms	(1R,4R,5S)-5-Ethynylbicyclo[2.2.2]octan-2-one; rel-(1R,4R,5S)-5-Ethynylbicyclo[2.2.2]octan-2-one; 5-Ethynylbicyclo[2.2.2]octan-2-one (stereoisomer); Bicyclo[2.2.2]octan-2-one, 5-ethynyl-, (1R,4R,5S)-rel-; 697751-11-4; 5-Ethynyl-2-bicyclo[2.2.2]octanone (enantiomer)
EINECS	Contact for details

Quality Control

Our Bicyclo[2.2.2]Octanone, 5-Ethynyl-, (1R,4R,5S)-Rel- (9Ci) is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity. Each lot is characterized using advanced analytical techniques including HPLC, GC, NMR, and chiral analysis. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (typically 15-25°C). Keep away from incompatible materials such as strong oxidizing agents, strong bases, and strong reducing agents. For long-term storage, consider storing under an inert atmosphere to preserve stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	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.