Description

2,6,7-Trioxabicyclo(2.2.2)Octane, 1-(4-Ethynylphenyl)-4-(3-Fluorophenyl)- is a specialized bicyclic orthoester derivative with a unique molecular scaffold, serving as a critical advanced intermediate in organic synthesis. Its value lies in its dual functional groups—the ethynyl and fluorophenyl moieties—which enable precise chemical modifications for creating complex target molecules. This compound is essential for researchers and manufacturers in pharmaceutical development and advanced material science, particularly for constructing novel drug candidates and functional polymers.

Application

• Pharmaceutical Intermediate: Key building block for synthesizing active pharmaceutical ingredients (APIs), especially in oncology and central nervous system (CNS) drug discovery programs.
• Polymer Chemistry: Monomer or cross-linking agent for developing high-performance, specialty polymers with tailored thermal and mechanical properties.
• Liquid Crystal & OLED Materials: Precursor for creating fluorinated and rigid core structures used in electronic display and lighting technologies.
• Agrochemical Synthesis: Intermediate in the production of novel herbicides and fungicides, leveraging its structural stability and reactivity.
• Academic & Industrial R&D: Used in methodological studies and as a probe molecule in catalysis and materials science research.
• Coordination Chemistry: Ligand precursor for constructing metal-organic frameworks (MOFs) and other coordination polymers.

Basic Information

Item	Details
Product Name	2,6,7-Trioxabicyclo(2.2.2)Octane, 1-(4-Ethynylphenyl)-4-(3-Fluorophenyl)-
CAS No.	131505-63-0
Molecular Formula	C18H15FO3
Molecular Weight	298.31 g/mol
Synonyms	1-(4-Ethynylphenyl)-4-(3-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane; 4-Ethynyl-4'-(3-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane; 1-(4-Ethynylphenyl)-4-(3-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane; Bicyclo[2.2.2]octane-1,4-diylbis(fluorobenzene) derivative; TBO Ethynyl Fluorophenyl Derivative; CAS 131505-63-0
EINECS	Contact for details

Quality Control

Every batch of our 2,6,7-Trioxabicyclo(2.2.2)Octane derivative is manufactured and analyzed under strict quality management protocols to ensure high purity and batch-to-batch consistency. Our products undergo rigorous quality testing, including chromatographic purity assays and structural confirmation, to meet the stringent requirements of research and pre-clinical development. A comprehensive Certificate of Analysis (COA) detailing identity, purity, 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 a controlled room temperature (15-25°C). Due to its sensitivity to oxidation, long-term storage under an inert atmosphere (e.g., nitrogen or argon) is recommended for optimal stability. Keep away from heat, sparks, and open flames.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.