Description

Bicyclo[2.2.2]Octane-1-Carbonyl Chloride, 4-Fluoro- (9Ci) is a highly functionalized bicyclic acid chloride derivative, serving as a critical building block in advanced organic synthesis. Its rigid, three-dimensional bicyclo[2.2.2]octane scaffold and reactive carbonyl chloride group make it invaluable for introducing sterically defined, fluorinated motifs into target molecules. This compound is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and complex intermediates.

Application

• Pharmaceutical Intermediate: Key precursor for synthesizing fluorinated drug candidates, particularly those targeting central nervous system (CNS) disorders, due to the ability of the fluorine atom and rigid core to modulate bioavailability and binding affinity.
• Agrochemical Synthesis: Used in the development of novel herbicides and pesticides, where the fluorinated bicyclic structure can enhance metabolic stability and biological activity.
• Material Science Research: Serves as a monomer or cross-linking agent for creating specialty polymers with unique thermal and mechanical properties derived from the rigid bicyclic unit.
• Ligand and Catalyst Development: Employed in the synthesis of sophisticated, sterically hindered ligands for asymmetric catalysis and organometallic chemistry.
• Fluorinated Probe Synthesis: Crucial for preparing molecular probes and tags used in Positron Emission Tomography (PET) imaging and other diagnostic applications.
• Custom Synthesis & Contract Manufacturing: A high-value intermediate for custom synthesis houses serving the life sciences sector, enabling the production of bespoke compounds for client R&D programs.

Basic Information

Product Name	Bicyclo[2.2.2]Octane-1-Carbonyl Chloride, 4-Fluoro- (9Ci)
CAS No.	81687-78-7
Molecular Formula	C9H10ClFO
Molecular Weight	188.63 g/mol
Synonyms	4-Fluorobicyclo[2.2.2]octane-1-carbonyl chloride; 1-(Chlorocarbonyl)-4-fluorobicyclo[2.2.2]octane; 4-Fluoro-bicyclo[2.2.2]octane-1-carboxylic acid chloride; 4-Fluoroadamantane-1-carbonyl chloride (common misnomer based on structure); 4-Fluoro-1-carboxyclobicyclo[2.2.2]octane chloride; Bicyclo[2.2.2]octan-1-carbonyl chloride, 4-fluoro-; F-BCO-COCl
EINECS	Contact for details

Quality Control

Our Bicyclo[2.2.2]Octane-1-Carbonyl Chloride, 4-Fluoro- (9Ci) is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity, essential for sensitive synthetic applications. We employ advanced analytical techniques including NMR, HPLC, and GC-MS for comprehensive characterization and impurity profiling. A detailed Certificate of Analysis (COA) is provided with each shipment, confirming identity, purity, and compliance with agreed specifications.

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). Due to its hygroscopic and moisture-sensitive nature, containers must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent hydrolysis. Keep away from strong acids, bases, and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline solid or powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Related Substances (HPLC)	Total impurities ≤ 3.0%

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