Description

2,6,7-Trioxabicyclo(2.2.2)Octane, 1-(4-(Phenylethynyl)Phenyl)-4-Propyl is a specialized organic compound featuring a unique bicyclic trioxa structure with a phenylethynylphenyl substituent. This molecular architecture makes it a valuable high-performance building block for advanced materials, particularly in applications requiring precise molecular engineering and stability. It is primarily sought by R&D chemists and material scientists in the pharmaceutical, agrochemical, and specialty polymer industries for developing novel products with enhanced properties.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the research and development of new active pharmaceutical ingredients (APIs), particularly for complex molecular scaffolds.
• Agrochemical Synthesis: Used in creating advanced crop protection agents and herbicides where its structural motifs can contribute to biological activity.
• Advanced Material Precursor: Acts as a monomer or cross-linking agent in the synthesis of high-performance polymers, resins, and liquid crystals.
• Organic Electronic Materials: Investigated for use in organic light-emitting diodes (OLEDs) and semiconductors due to its conjugated phenylethynyl system.
• Cross-coupling Reactions: Utilized in palladium-catalyzed reactions (e.g., Sonogashira, Suzuki) for constructing complex aromatic systems in medicinal chemistry.
• Ligand and Catalyst Development: Employed in the design of novel ligands for catalysis and metal-organic frameworks (MOFs).

Basic Information

Product Name	2,6,7-Trioxabicyclo(2.2.2)Octane, 1-(4-(Phenylethynyl)Phenyl)-4-Propyl
CAS No.	108613-93-0
Molecular Formula	C21H20O3
Molecular Weight	320.38 g/mol
Synonyms	1-(4-(Phenylethynyl)phenyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane; 4-Propyl-1-[4-(2-phenylethynyl)phenyl]-2,6,7-trioxabicyclo[2.2.2]octane; 1-(4-Phenylethynylphenyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane; Bicyclo[2.2.2]octane, 1-(4-(2-phenylethynyl)phenyl)-4-propyl-2,6,7-trioxa-; Propyl-trioxabicyclooctane phenylethynylphenyl derivative; TBO-PEPP (abbreviation); Contact for details on additional trade names.
EINECS	Contact for details

Quality Control

Our production of 2,6,7-Trioxabicyclo(2.2.2)Octane, 1-(4-(Phenylethynyl)Phenyl)-4-Propyl adheres to stringent Good Manufacturing Practice (GMP) principles where applicable. Every batch undergoes rigorous analytical testing to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing key specifications such as assay purity and impurity profiles are available upon request to support your quality assurance protocols.

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 incompatible materials such as strong acids, bases, and oxidizing agents. For long-term storage, consider an inert atmosphere to preserve stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%
Melting Point	Contact for details
Loss on Drying	≤ 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.