Description

2,2,2-Trifluoro-1-[7-Phenyl-2-(Trifluoromethyl)-1,4,5,9-Tetrazabicyclo [4.3.0]Nona-2,4,6,8-Tetraen-3-Yl]Ethanone is a specialized heterocyclic compound featuring a unique tetrazabicyclononatetraene core structure with multiple fluorine substituents. This compound is of significant interest as a high-value chemical intermediate in advanced organic synthesis, particularly for the development of novel pharmaceuticals and agrochemicals. It is primarily sought by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and material science sectors for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel active pharmaceutical ingredients (APIs), especially those targeting central nervous system (CNS) disorders or requiring fluorinated motifs for enhanced metabolic stability and bioavailability.
• Agrochemical Research: Used in the development of new-generation herbicides, fungicides, and insecticides where the fluorine atoms and nitrogen-rich heterocycle contribute to biological activity and environmental persistence profiles.
• Material Science Precursor: Serves as a monomer or cross-linking agent in the synthesis of advanced polymers, coatings, or electronic materials with specific thermal or chemical resistance properties.
• Ligand Synthesis: Potential precursor for creating novel nitrogen-donor ligands used in catalysis and coordination chemistry.
• Fluorine Chemistry Research: A valuable substrate for studying novel fluorination reactions and the properties of highly fluorinated heterocyclic systems in academic and industrial R&D settings.

Basic Information

Item	Details
Product Name	2,2,2-Trifluoro-1-[7-Phenyl-2-(Trifluoromethyl)-1,4,5,9-Tetrazabicyclo [4.3.0]Nona-2,4,6,8-Tetraen-3-Yl]Ethanone
CAS No.	72307-45-0
Molecular Formula	C14H7F6N4O
Molecular Weight	346.23 g/mol
Synonyms	1-(7-Phenyl-2-(trifluoromethyl)-1,4,5,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraen-3-yl)-2,2,2-trifluoroethanone; 2,2,2-Trifluoro-1-(7-phenyl-2-(trifluoromethyl)-1,4,5,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraen-3-yl)ethan-1-one; Trifluoroacetyl-substituted tetrazabicyclononatetraene; CAS 72307-45-0; F6N4O derivative; Bicyclic tetraaza compound
EINECS	Contact for details

Quality Control

Our 2,2,2-Trifluoro-1-[7-Phenyl-2-(Trifluoromethyl)-1,4,5,9-Tetrazabicyclo [4.3.0]Nona-2,4,6,8-Tetraen-3-Yl]Ethanone is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity suitable for research and development applications. Each lot is characterized using advanced analytical techniques including HPLC, NMR (1H, 19F, 13C), and Mass Spectrometry. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every 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). Keep the container tightly sealed in its original packaging to protect from moisture and light exposure. Store away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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