Description

Bicyclo[2.2.2]Octane-1-Carbonyl Fluoride (9Ci) is a specialized fluorinated building block characterized by its rigid, three-dimensional bicyclic framework. This compound is valued for its role as a key intermediate in advanced organic synthesis, particularly for introducing the bicyclo[2.2.2]octane motif and the reactive carbonyl fluoride functional group. It is primarily sought by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for constructing complex molecular architectures, developing novel materials, and creating bioactive compounds.

Application

• Pharmaceutical Intermediate: Serves as a critical synthon in the development of new active pharmaceutical ingredients (APIs), especially for candidates requiring rigid, three-dimensional scaffolds to improve binding affinity and metabolic stability.
• Agrochemical Research: Used in the synthesis of novel herbicides, fungicides, and insecticides where the bicyclic structure can confer unique biological activity and environmental persistence profiles.
• Material Science: Employed in the creation of advanced polymers and specialty chemicals, where its structure can impart desirable thermal and mechanical properties.
• Fluorination Chemistry: Acts as a versatile reagent for introducing fluorine atoms or carbonyl fluoride groups into target molecules, a common strategy in medicinal chemistry to modulate lipophilicity and bioavailability.
• Ligand and Catalyst Development: Utilized as a precursor for synthesizing novel ligands and organocatalysts that leverage its sterically demanding and electron-withdrawing characteristics.
• Academic & Industrial R&D: A valuable tool for methodological development and exploring new chemical spaces in both university laboratories and corporate research centers.

Basic Information

Product Name	Bicyclo[2.2.2]Octane-1-Carbonyl Fluoride (9Ci)
CAS No.	116935-86-5
Molecular Formula	C9H11FO
Molecular Weight	154.18 g/mol
Synonyms	1-Bicyclo[2.2.2]octanecarbonyl fluoride; Bicyclo[2.2.2]octane-1-carboxylic acid fluoride; 1-Fluorocarbonylbicyclo[2.2.2]octane; BCO-COF; Bicyclo[2.2.2]octyl-1-carbonyl fluoride; 116935-86-5; Bicyclo[2.2.2]octane-1-carbonyl fluoride
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure batch-to-batch consistency and compliance with stringent industry standards. Each lot is analyzed using advanced techniques including NMR, HPLC, and GC to verify identity, purity, and impurity profiles. A comprehensive Certificate of Analysis (COA) detailing all test results is provided and available upon request. We adhere to a quality management system to support our commitment to supplying high-purity research and process chemicals.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic (moisture-sensitive) nature, the container must be kept sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent decomposition. Recommended long-term storage temperature is 2-8°C.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC/HPLC)	≥ 95.0%
Water Content (KF)	≤ 0.5%

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