Description

Pentalene, 3A-Ethynyl-1,2,3,3A,4,6A-Hexahydro-, cis- (9Ci) is a specialized, high-value bicyclic organic compound featuring a reactive ethynyl group, making it a versatile synthon for advanced chemical synthesis. Its unique fused-ring structure and alkyne functionality are critical for constructing complex molecular architectures in pharmaceutical and materials research. This compound is essential for R&D chemists and process development scientists in the fine chemical, agrochemical, and advanced material sectors seeking to develop novel active ingredients or functional polymers.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of novel drug candidates, particularly for central nervous system (CNS) and anti-inflammatory targets.
• Agrochemical Synthesis: Used in the research and development of new-generation pesticides and herbicides, leveraging its complex hydrocarbon backbone.
• Material Science Research: Acts as a precursor for advanced polymers and specialty materials, where the ethynyl group enables cross-linking or functionalization.
• Organic Synthesis Reagent: Employed in academic and industrial laboratories for Diels-Alder reactions and other cycloadditions to create novel polycyclic structures.
• Ligand and Catalyst Development: Utilized in the design of novel organometallic complexes and catalysts for asymmetric synthesis.
• Flavor & Fragrance Chemistry: Potential intermediate for synthesizing complex terpenoid-like aroma molecules.

Basic Information

Product Name	Pentalene, 3A-Ethynyl-1,2,3,3A,4,6A-Hexahydro-, cis- (9Ci)
CAS No.	69984-46-9
Molecular Formula	C10H12
Molecular Weight	132.20 g/mol
Synonyms	cis-3a-Ethynyl-1,2,3,3a,4,6a-hexahydropentalene; 3a-Ethynylhexahydropentalene; 3a-Ethynyl-1,2,3,3a,4,6a-hexahydro-pentalene; (3aS,6aR)-3a-Ethynyl-1,2,3,3a,4,6a-hexahydropentalene; Ethynylhexahydropentalene; Bicyclo[3.3.0]oct-1(5)-ene, 2-ethynyl-; 2-Ethynylbicyclo[3.3.0]oct-1(5)-ene
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards for research and development. Each batch is characterized using advanced analytical techniques including GC, HPLC, and NMR to confirm identity and purity. Certificates of Analysis (COA) detailing batch-specific results are available upon request. We adhere to a quality management system to ensure traceability and consistency for our global B2B clients.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep away from heat, sparks, and open flames. For long-term storage, consider storing under an inert atmosphere such as nitrogen or argon to maintain stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 95.0%
Purity (HPLC)	≥ 94.0%
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.