Description

2,6,7-Trioxabicyclo(2.2.2)Octane, 1-(4-Ethynylphenyl)-4-(4-Fluorophenyl)- is a specialized organic compound featuring a unique trioxabicyclooctane core functionalized with ethynyl and fluorophenyl groups. This molecular architecture makes it a valuable advanced intermediate for synthesizing complex materials and active pharmaceutical ingredients (APIs). It is primarily sought by R&D and production teams in the pharmaceutical, agrochemical, and advanced materials sectors for developing novel compounds with targeted properties.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in central nervous system (CNS) and oncology research.
• Agrochemical Synthesis: Used in the development of new-generation herbicides and pesticides with enhanced efficacy.
• Polymer & Material Science: Serves as a monomer or cross-linking agent for creating high-performance, specialty polymers with unique thermal or mechanical properties.
• Liquid Crystal & OLED Materials: A potential precursor for electronic materials used in displays and organic light-emitting diodes due to its rigid, conjugated structure.
• Cross-coupling Reactions: The ethynyl group makes it a suitable substrate for Sonogashira and other palladium-catalyzed coupling reactions in fine chemical synthesis.
• Academic & Industrial Research: A valuable tool compound for exploring new synthetic methodologies and reaction pathways in organic chemistry.

Basic Information

Product Name	2,6,7-Trioxabicyclo(2.2.2)Octane, 1-(4-Ethynylphenyl)-4-(4-Fluorophenyl)-
CAS No.	131541-24-7
Molecular Formula	C18H14FO3
Molecular Weight	297.30 g/mol
Synonyms	1-(4-Ethynylphenyl)-4-(4-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane; 4-Fluoro-4'-(1-ethynyl)-2,6,7-trioxabicyclo[2.2.2]octane-1,4-diyldibenzene; 1,4-Bis(4-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane derivative; TBO Ethynyl Fluorophenyl derivative; Bicyclo[2.2.2]octane-1,4-diyldibenzene, 2,6,7-trioxa-1-(4-ethynylphenyl)-4-(4-fluorophenyl)-; CAS 131541-24-7.
EINECS	Contact for details

Quality Control

Our production of 2,6,7-Trioxabicyclo(2.2.2)Octane, 1-(4-Ethynylphenyl)-4-(4-Fluorophenyl)- adheres to stringent quality protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity, NMR for structural confirmation, and GC-MS for impurity profiling, to ensure consistency and reliability for your critical applications. Certificates of Analysis (COA) detailing all specifications are provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). Due to its sensitivity to oxidation, it is recommended to store under an inert atmosphere (e.g., nitrogen or argon) for long-term preservation. 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%
Melting Point	Contact for details
Loss on Drying	≤ 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.