Description

2,6,7-Trioxabicyclo(2.2.2)Octane, 4-Cyclopropyl-1-(4-Ethynylphenyl)- is a specialized bicyclic orthoester derivative, recognized for its unique structural framework that combines a rigid trioxabicyclo[2.2.2]octane core with functional cyclopropyl and ethynylphenyl groups. This compound is of significant interest in advanced organic synthesis and materials science, serving as a versatile high-purity building block for creating complex molecular architectures. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty polymer industries for applications requiring precise molecular control and novel property introduction.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the research and development of new active pharmaceutical ingredients (APIs), particularly for introducing the rigid, oxygen-rich bicyclic scaffold.
• Agrochemical Synthesis: Used in the design and synthesis of novel herbicides, fungicides, or insecticides where the cyclopropyl and ethynyl groups can impart specific biological activity.
• Advanced Material Precursor: Acts as a monomer or cross-linking agent in the development of specialty polymers, resins, or coatings with enhanced thermal or chemical resistance.
• Ligand and Catalyst Development: Employed in organometallic chemistry and catalysis research to create novel ligand systems due to its unique steric and electronic properties.
• Academic and Industrial R&D: A valuable tool for methodological studies in organic synthesis, including cycloaddition reactions and the construction of complex heterocycles.
• Electronic Chemicals: Potential use in the synthesis of organic semiconductors or photoactive materials for optoelectronic applications.

Basic Information

Product Name	2,6,7-Trioxabicyclo(2.2.2)Octane, 4-Cyclopropyl-1-(4-Ethynylphenyl)-
CAS No.	131505-50-5
Molecular Formula	C15H14O3
Molecular Weight	242.27 g/mol
Synonyms	4-Cyclopropyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane; 1-(4-Ethynylphenyl)-4-cyclopropyl-2,6,7-trioxabicyclo[2.2.2]octane; 4-Cyclopropyl-1-(4-ethynylphenyl)-1,3,5,7-tetraoxa-2,6-diazabicyclo[2.2.2]octane (alternative naming); Bicyclic orthoester derivative; TBO-CPEP; Contact for additional trade names.
EINECS	Contact for details

Quality Control

We supply 2,6,7-Trioxabicyclo(2.2.2)Octane, 4-Cyclopropyl-1-(4-Ethynylphenyl)- in high-purity grades suitable for research and commercial synthesis. Our products undergo rigorous quality testing to ensure batch-to-batch consistency and compliance with customer specifications. Standard analytical techniques including HPLC, GC, NMR, and mass spectrometry are employed. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (typically 15-25°C). The compound may be sensitive to prolonged exposure to moisture and strong acids/bases. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0% (Standard Grade)
Purity (GC)	≥ 98.0%
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.