Description

Pentacyclo[4.2.0.02,5.03,8.04,7]Octane, Ethynyl- (9Ci) is a highly strained, polycyclic hydrocarbon derivative featuring a unique caged structure with an ethynyl functional group. This compound is of significant interest in advanced materials science and pharmaceutical research due to its rigid, three-dimensional framework and reactive alkyne moiety, which serves as a versatile building block for complex molecular architectures. It is primarily utilized by R&D chemists and process development scientists in the fields of specialty polymers, high-energy materials, and as a sophisticated intermediate in medicinal chemistry for novel drug discovery.

Application

• Advanced Polymer Synthesis: Acts as a high-strain, cross-linking monomer or co-monomer for developing polymers with enhanced thermal stability and unique mechanical properties.
• Pharmaceutical Intermediate: Serves as a key synthetic building block in the research and development of novel active pharmaceutical ingredients (APIs), leveraging its rigid core for structure-activity relationship (SAR) studies.
• Energetic Materials Research: Investigated as a potential precursor or component in the formulation of high-density, high-performance fuels and propellants due to its strained carbon framework.
• Material Science: Used in the development of novel organic frameworks, molecular cages, and other nanostructured materials where precise three-dimensional geometry is critical.
• Organic Synthesis & Catalysis: Employed as a challenging substrate or ligand precursor in methodological studies and the development of new catalytic transformations.
• Academic & Industrial R&D: A valuable compound for fundamental research in physical organic chemistry, studying strain, reactivity, and bonding in polycyclic systems.

Basic Information

Product Name	Pentacyclo[4.2.0.02,5.03,8.04,7]Octane, Ethynyl- (9Ci)
CAS No.	163332-93-2
Molecular Formula	C10H8
Molecular Weight	128.17 g/mol
Synonyms	Ethynylpentacyclo[4.2.0.02,5.03,8.04,7]octane; 1-Ethynylpentacyclo[4.2.0.02,5.03,8.04,7]octane; Ethynyl-pentacyclooctane; Cubane, 1-ethynyl- (caged polycyclic hydrocarbon derivative); Contact for additional synonyms.
EINECS	Contact for details

Quality Control

Our Pentacyclo[4.2.0.02,5.03,8.04,7]Octane, Ethynyl- (9Ci) is produced and handled under strict quality management protocols. Each batch undergoes comprehensive analytical characterization to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing specifications and results from techniques such as NMR, GC-MS, and HPLC are provided to support your research and quality assurance requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at controlled room temperature (typically 15-25°C). This compound may be sensitive to prolonged exposure to air and moisture; store under an inert atmosphere for long-term stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Melting Point	Contact for details

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