Description

Methyl 4-Ethynylbicyclo[2.2.2]Octane-1-Carboxylate is a specialized bicyclic organic compound featuring a rigid, cage-like structure combined with a reactive ethynyl group and an ester functionality. This unique molecular architecture makes it a valuable high-purity building block for advanced research and development in material science and pharmaceutical chemistry. It is primarily sought by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for constructing complex molecular frameworks.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the research and development of novel active pharmaceutical ingredients (APIs), particularly for creating structurally constrained molecules.
• Agrochemical Research: Used in the synthesis of new crop protection agents and herbicides, where the bicyclic scaffold can impart unique biological activity and stability.
• Material Science Precursor: Acts as a monomer or cross-linking agent in the development of specialty polymers, resins, and advanced organic frameworks with tailored thermal or mechanical properties.
• Ligand Synthesis for Catalysis: Employed in the creation of novel, sterically demanding ligands for transition metal catalysis, enhancing selectivity in asymmetric synthesis.
• Academic & Industrial R&D: A crucial reagent for methodological studies in organic synthesis, including click chemistry (via the alkyne group) and Diels-Alder reactions.
• High-Value Fine Chemical Production: Integrated into the multi-step synthesis of complex, high-value fine chemicals and specialty performance materials.

Basic Information

Product Name	Methyl 4-Ethynylbicyclo[2.2.2]Octane-1-Carboxylate
CAS No.	96481-32-2
Molecular Formula	C12H14O2
Molecular Weight	190.24 g/mol
Synonyms	Methyl 4-ethynylbicyclo[2.2.2]octane-1-carboxylate; 4-Ethynylbicyclo[2.2.2]octane-1-carboxylic acid methyl ester; 1-Carbomethoxy-4-ethynylbicyclo[2.2.2]octane; Methyl 4-ethynyl-2.2.2-bicyclooctane-1-carboxylate; Bicyclo[2.2.2]octane-1-carboxylic acid, 4-ethynyl-, methyl ester; 4-Ethynylbicyclo[2.2.2]octyl-1-methyl carboxylate
EINECS	Contact for details

Quality Control

Our Methyl 4-Ethynylbicyclo[2.2.2]Octane-1-Carboxylate is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications and test results are provided and available upon request to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (typically 15-25°C). Keep away from heat, sparks, and open flames. For long-term storage, consider maintaining the material under an inert atmosphere to preserve stability.

Specification

Item	Specification
Appearance	White to off-white crystalline solid or powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0% (Standard Grade)
Purity (GC)	≥ 97.0%
Melting Point	Contact for details
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.