Description

Bicyclo[2.2.2]Octane-1-Carboxylic Acid, 3-Nitro- (9Ci) is a highly functionalized, rigid bicyclic organic compound that serves as a valuable and versatile building block in advanced chemical synthesis. Its unique three-dimensional structure and reactive nitro and carboxylic acid functional groups make it a critical intermediate for creating complex molecular architectures with specific spatial orientations. This compound is primarily sought after by research and development teams in the pharmaceutical and agrochemical industries, where it is used to develop novel active ingredients, ligands, and functional materials.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel drug candidates, particularly in medicinal chemistry programs targeting central nervous system (CNS) disorders and other therapeutic areas requiring rigid, three-dimensional scaffolds.
• Agrochemical Research: Used in the synthesis of advanced pesticides and herbicides, where its structural rigidity can contribute to improved binding affinity and environmental stability of the active molecule.
• Material Science Precursor: Serves as a building block for synthesizing specialty polymers, metal-organic frameworks (MOFs), and other advanced materials that benefit from its defined geometry and functional handles.
• Catalyst and Ligand Development: Employed in the design and synthesis of novel chiral ligands and organocatalysts for asymmetric synthesis, leveraging its rigid backbone to induce stereoselectivity.
• Academic and R&D Laboratories: A valuable reagent for methodological studies in organic synthesis, including cycloaddition reactions and the exploration of new reaction pathways involving strained systems.
• Fine Chemical Synthesis: An intermediate in the multi-step production of complex fine chemicals, flavors, and fragrances requiring precise structural control.

Basic Information

Product Name	Bicyclo[2.2.2]Octane-1-Carboxylic Acid, 3-Nitro- (9Ci)
CAS No.	406947-31-7
Molecular Formula	C9H11NO4
Molecular Weight	197.19 g/mol
Synonyms	3-Nitrobicyclo[2.2.2]octane-1-carboxylic acid; 1-Carboxy-3-nitrobicyclo[2.2.2]octane; 3-Nitro-1-bicyclo[2.2.2]octanecarboxylic Acid; Bicyclo[2.2.2]octane-1-carboxylic acid, 3-nitro-; 3-Nitro-bicyclo[2.2.2]octane-1-carboxylic acid; 3-Nitro-1-carboxybicyclo[2.2.2]octane
EINECS	Contact for details

Quality Control

We maintain a strict quality management system to ensure batch-to-batch consistency and high purity for our advanced intermediates. Our Bicyclo[2.2.2]Octane-1-Carboxylic Acid, 3-Nitro- (9Ci) is produced and controlled under current Good Manufacturing Practice (cGMP) principles suitable for pharmaceutical development. Each batch is accompanied by a comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles, available upon request. Our quality protocols are designed to meet the stringent requirements of global regulatory standards for research and pre-clinical applications.

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 compound may be light-sensitive and should be handled accordingly. Keep the container tightly sealed when not in use to minimize exposure to atmospheric moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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