Description

3-Azabicyclo[4.2.0]Octa-1,3,5-Trien-7-One,3-Oxide(9Ci) is a specialized bicyclic heterocyclic compound featuring a fused ring system with an N-oxide moiety. This unique molecular architecture makes it a valuable and versatile advanced pharmaceutical intermediate (API) and a key building block in organic synthesis. It is primarily utilized by research and development chemists in the pharmaceutical and agrochemical industries for the construction of complex molecules. The compound, identified by CAS number 478619-41-9, is essential for developing novel active ingredients with potential therapeutic or pesticidal properties.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of novel drug candidates, particularly those with complex polycyclic structures.
• Agrochemical Research: Used as a building block for developing new herbicides, fungicides, and insecticides with unique modes of action.
• Organic Synthesis Reagent: Acts as a versatile scaffold for constructing complex heterocyclic compounds in academic and industrial research laboratories.
• Material Science Precursor: Potential use in the development of specialty chemicals and advanced functional materials.
• Medicinal Chemistry: Employed in structure-activity relationship (SAR) studies and lead optimization processes.

Basic Information

Product Name	3-Azabicyclo[4.2.0]Octa-1,3,5-Trien-7-One,3-Oxide(9Ci)
CAS No.	478619-41-9
Molecular Formula	C7H7NO2
Molecular Weight	137.14 g/mol
Synonyms	3-Oxido-3-azabicyclo[4.2.0]octa-1,3,5-trien-7-one; 3-Azabicyclo[4.2.0]octa-1,3,5-trien-7-one 3-oxide; 1,2-Dihydro-4H-3,1-benzoxazin-4-one 2-oxide; Benzoxazinone N-oxide; 478619-41-9; 3-Oxido-3-azabicyclo[4.2.0]octa-1,3,5-trien-7-one (9CI)
EINECS	Contact for details

Quality Control

Our production of 3-Azabicyclo[4.2.0]Octa-1,3,5-Trien-7-One,3-Oxide(9Ci) adheres to stringent quality management protocols. Each batch undergoes rigorous analytical testing to ensure high purity and batch-to-batch consistency, meeting the exacting standards required for pharmaceutical R&D. Comprehensive Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are provided with every shipment. Our quality systems are designed to support cGMP compliance for advanced intermediate manufacturing.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (15-25°C). Keep away from incompatible materials such as strong reducing agents. For long-term storage, consider storing under an inert atmosphere to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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