Description

Tricyclo[4.2.0.02,5]Octa-3,7-Diene, 3-Ethynyl-, (1Alpha,2Alpha,5Alpha,6Alpha)- (9Ci) is a specialized, high-value bicyclic organic compound featuring a strained ring system and a reactive ethynyl group. This unique molecular architecture makes it a critical advanced intermediate for synthesizing complex molecules in pharmaceutical and advanced materials research. It is primarily sought after by R&D chemists and process development scientists working on novel drug candidates, agrochemicals, and specialty polymers where its specific stereochemistry and functional groups are essential.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders or possessing complex polycyclic structures.
• Agrochemical Research: Used in the development of new-generation herbicides, fungicides, and insecticides, leveraging its reactive sites to create compounds with specific biological activity.
• Material Science: Acts as a precursor for specialty polymers, liquid crystals, or organic electronic materials, where its rigid, conjugated core can impart desired electronic or structural properties.
• Chemical Synthesis Reagent: Employed in academic and industrial laboratories for methodological studies in organic chemistry, such as cycloaddition reactions or catalytic transformations involving alkynes.
• Ligand & Catalyst Development: Utilized to construct complex ligand frameworks for asymmetric catalysis or metal-organic frameworks (MOFs).

Basic Information

Product Name	Tricyclo[4.2.0.02,5]Octa-3,7-Diene, 3-Ethynyl-, (1Alpha,2Alpha,5Alpha,6Alpha)- (9Ci)
CAS No.	163333-05-9
Molecular Formula	C10H8
Molecular Weight	128.17 g/mol
Synonyms	(1α,2α,5α,6α)-3-Ethynyltricyclo[4.2.0.02,5]octa-3,7-diene; 3-Ethynyltricyclo[4.2.0.02,5]octa-3,7-diene; Bicyclo[4.2.0]octa-1,3,5,7-tetraene, 3-ethynyl-; 3-Ethynyl-1,2:5,6-dibenzocyclobutadiene (common name derivative); Tricyclo[4.2.0.0²,⁵]octa-3,7-diene, 3-ethynyl-, (1α,2α,5α,6α)-; CAS 163333-05-9
EINECS	Contact for details

Quality Control

We maintain a strict quality management system to ensure batch-to-batch consistency and high purity for this advanced intermediate. Our products undergo rigorous analytical testing, including HPLC, GC, and NMR, to verify identity, purity, and isomeric composition. A comprehensive Certificate of Analysis (COA) detailing all test results is provided with each shipment. We can support development projects with custom purity grades and analytical method development upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This compound is light-sensitive (store away from light) and should be handled under an inert atmosphere (e.g., nitrogen or argon) to prevent degradation, especially after opening the primary container. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline solid
Identification (IR)	Conforms to reference spectrum
Purity (HPLC)	≥ 97.0% (Area %)
Isomeric Purity	≥ 95.0% (by GC or HPLC)
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.