Description

4,4,4-Trifluoro-1-(3-Oxo-3,4-Dihydro-2H-Benzo[B][1,4]Oxazin-6-Yl)Butane-1,3-Dione is a high-purity, advanced pharmaceutical intermediate characterized by its unique trifluoromethylated β-diketone moiety fused with a benzoxazinone ring system. This compound matters for its critical role as a key building block in the synthesis of novel active pharmaceutical ingredients (APIs), particularly those targeting central nervous system (CNS) disorders and other therapeutic areas where fluorine substitution is leveraged to enhance metabolic stability and bioavailability. Pharmaceutical research organizations, agrochemical developers, and specialty chemical manufacturers need this precise intermediate to accelerate their drug discovery and development pipelines, relying on its consistent quality and structural complexity to create next-generation compounds.

Application

• Pharmaceutical Intermediate: A crucial precursor in the synthesis of novel drug candidates, especially for CNS-targeting therapies, kinase inhibitors, and anti-inflammatory agents.
• Agrochemical Research: Serves as a key scaffold for developing new generation herbicides and fungicides, where the trifluoromethyl group enhances biological activity and environmental persistence.
• Material Science: Used in the research and development of specialty polymers and advanced organic electronic materials due to its unique electronic properties imparted by the fluorine atoms.
• Chemical Biology Probe Development: Employed as a building block for creating fluorescent tags or molecular probes to study biological processes and protein interactions.
• Organic Synthesis Building Block: Utilized in complex multi-step organic syntheses, including cyclization and condensation reactions, to construct diverse heterocyclic frameworks.

Basic Information

Product Name	4,4,4-Trifluoro-1-(3-Oxo-3,4-Dihydro-2H-Benzo[B][1,4]Oxazin-6-Yl)Butane-1,3-Dione
CAS No.	943994-23-8
Molecular Formula	C₁₄H₁₀F₃NO₄
Molecular Weight	313.23 g/mol
Synonyms	6-(4,4,4-Trifluoro-3-oxobutanoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one; 1-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-4,4,4-trifluorobutane-1,3-dione; 4,4,4-Trifluoro-1-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1,3-dione; Trifluoromethylated Benzoxazinone Diketone; TFBO Diketone Intermediate; CAS 943994-23-8
EINECS	Contact for details

Quality Control

Our 4,4,4-Trifluoro-1-(3-Oxo-3,4-Dihydro-2H-Benzo[B][1,4]Oxazin-6-Yl)Butane-1,3-Dione is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC for purity, NMR and IR for structural confirmation, and residual solvent analysis by GC, to ensure it meets the high standards required for pharmaceutical R&D. Certificates of Analysis (COA) detailing all specifications are provided with each shipment, and we support compliance with relevant regulatory frameworks such as REACH and ICH Q7 guidelines.

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). This product is hygroscopic (moisture-sensitive) and light-sensitive; therefore, containers must be kept sealed under an inert atmosphere (e.g., nitrogen or argon) when not in use to prevent degradation and moisture absorption.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH Q3C guidelines
Heavy Metals	≤ 10 ppm

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