Description

Bicyclo[2.2.2]Octa-2,5-Diene-2-Carbonyl Chloride (9Ci) is a highly reactive and versatile acid chloride derivative of a strained bicyclic diene, serving as a critical building block for advanced organic synthesis. Its unique, rigid three-dimensional structure makes it an invaluable precursor for constructing complex molecular architectures, including novel ligands, polymers, and pharmaceutical intermediates. This compound is essential for R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty materials industries seeking to introduce sterically defined, functionalized bicyclic motifs.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel active pharmaceutical ingredients (APIs) and drug candidates, particularly those requiring rigid, three-dimensional scaffolds to enhance binding affinity and metabolic stability.
• Agrochemical Synthesis: Used in creating advanced herbicides, fungicides, and insecticides where the bicyclic core contributes to unique biological activity and environmental persistence profiles.
• Polymer & Material Science: Serves as a monomer or cross-linking agent for developing specialty polymers with tailored thermal, mechanical, or optical properties.
• Ligand & Catalyst Development: Fundamental building block for synthesizing novel chelating ligands and organometallic catalysts used in asymmetric synthesis and polymerization processes.
• Academic & Industrial R&D: Employed in exploratory chemistry for constructing complex natural product analogs and novel chemical entities in research laboratories.
• Fine Chemical Production: Intermediate in the multi-step synthesis of dyes, flavors, fragrances, and other high-value specialty chemicals.

Basic Information

Item	Details
Product Name	Bicyclo[2.2.2]Octa-2,5-Diene-2-Carbonyl Chloride (9Ci)
CAS No.	117040-22-9
Molecular Formula	C9H7ClO
Molecular Weight	166.60 g/mol
Synonyms	2,5-Dihydrobicyclo[2.2.2]octa-2,5-diene-2-carbonyl chloride; Bicyclo[2.2.2]octa-2,5-diene-2-carbonyl chloride; Bicyclo[2.2.2]octa-2,5-diene-2-carboxylic acid chloride; 2-Bicyclo[2.2.2]octa-2,5-dienecarbonyl chloride; (2,5-Dihydrobicyclo[2.2.2]octa-2,5-dien-2-yl)carbonyl chloride
EINECS	Contact for details

Quality Control

Our Bicyclo[2.2.2]Octa-2,5-Diene-2-Carbonyl Chloride (9Ci) is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing to ensure high purity and consistency, meeting the stringent requirements of advanced synthetic applications. Comprehensive Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) to prevent decomposition. Keep away from strong bases, oxidizing agents, and sources of ignition.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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