Description

1-(4-Ethynylphenyl)-4-Propyl-2,6,7-Trioxabicyclo(2.2.2)Octane is a specialized bicyclic orthoester compound featuring a reactive ethynylphenyl functional group. This unique structure makes it a valuable high-purity chemical intermediate for advanced material synthesis and pharmaceutical research. It is primarily sought by R&D chemists and process engineers in the pharmaceutical, agrochemical, and specialty polymer industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for candidates requiring rigid, three-dimensional scaffolds.
• Agrochemical Research: Used in developing new generations of herbicides, fungicides, and insecticides where the orthoester and alkyne functionalities offer unique modes of action.
• Advanced Material Synthesis: Acts as a precursor for high-performance polymers, liquid crystals, and organic electronic materials due to its rigid bicyclic core and polymerizable ethynyl group.
• Cross-coupling Reactions: The ethynyl group makes it a suitable substrate for Sonogashira and other palladium-catalyzed cross-coupling reactions to create conjugated systems.
• Protecting Group Chemistry: The orthoester moiety can be utilized in synthetic chemistry as a protecting group for diols or other functional groups under specific conditions.
• Academic & Industrial R&D: Employed in research laboratories for methodological studies and the exploration of new chemical spaces in medicinal and materials chemistry.

Basic Information

Product Name	1-(4-Ethynylphenyl)-4-Propyl-2,6,7-Trioxabicyclo(2.2.2)Octane
CAS No.	108614-26-2
Molecular Formula	C15H16O3
Molecular Weight	244.29 g/mol
Synonyms	4-Propyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane; 1-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane; 2,6,7-Trioxabicyclo[2.2.2]octane, 1-(4-ethynylphenyl)-4-propyl-; 4-Propyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane; Bicyclic orthoester ethynylphenyl derivative
EINECS	Contact for details

Quality Control

Our 1-(4-Ethynylphenyl)-4-Propyl-2,6,7-Trioxabicyclo(2.2.2)Octane is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. A detailed Certificate of Analysis (COA) is provided with each shipment, confirming compliance with customer specifications and internal quality standards.

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 under an inert atmosphere to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Purity (GC)	≥ 96.0%
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.