Description

1-(3,5-Difluorobenzyl)-4-([6-(Trifluoromethyl)Pyridin-3-Yl]Methyl)-1,4-Diazepan-5-One is a high-purity, advanced pharmaceutical intermediate characterized by its unique diazepanone core flanked by fluorinated aromatic systems. This compound matters for its critical role as a key building block in the synthesis of novel active pharmaceutical ingredients (APIs), particularly in therapeutic areas requiring targeted molecular scaffolds. Research and development teams in the global pharmaceutical and biotechnology sectors need this precise chemical entity to drive innovation in drug discovery programs.

Application

• Pharmaceutical Intermediate: Serves as a crucial precursor in the multi-step synthesis of novel drug candidates, especially for central nervous system (CNS) and oncology targets.
• Medicinal Chemistry Research: Used as a scaffold for structure-activity relationship (SAR) studies and library synthesis due to its diazepanone ring and fluorinated motifs.
• API Development: Integral in the development and scale-up processes for new active pharmaceutical ingredients requiring this specific heterocyclic framework.
• Contract Research & Manufacturing (CRO/CMO): Supplied to organizations specializing in custom synthesis and process development for client molecules.
• Bioconjugation & Probe Synthesis: Potential use in creating chemical probes or tagged molecules for biochemical and diagnostic research applications.
• Academic Research: Utilized in university and institutional labs for fundamental studies in organic synthesis and pharmacology.

Basic Information

Product Name	1-(3,5-Difluorobenzyl)-4-([6-(Trifluoromethyl)Pyridin-3-Yl]Methyl)-1,4-Diazepan-5-One
CAS No.	909659-02-5
Molecular Formula	C20H18F5N3O
Molecular Weight	411.37 g/mol
Synonyms	1,4-Diazepan-5-one, 1-[(3,5-difluorophenyl)methyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-; 4-([6-(Trifluoromethyl)pyridin-3-yl]methyl)-1-(3,5-difluorobenzyl)-1,4-diazepan-5-one; 1-(3,5-Difluorobenzyl)-4-((6-(trifluoromethyl)pyridin-3-yl)methyl)-1,4-diazepan-5-one; UNII-9F6K3S2A4F; 9F6K3S2A4F; SCHEMBL218062; AKOS025147213; ZINC000253909983
EINECS	Contact for details

Quality Control

Our 1-(3,5-Difluorobenzyl)-4-([6-(Trifluoromethyl)Pyridin-3-Yl]Methyl)-1,4-Diazepan-5-One is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing to ensure identity, purity, and consistency, meeting the exacting standards required for pharmaceutical R&D. Certificates of Analysis (COA) detailing specifications such as assay (HPLC), related substances, and residual solvents are provided and available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (typically 15-25°C). This material is moisture-sensitive (hygroscopic); keep the container tightly sealed under an inert atmosphere if necessary. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥ 98.0%
Purity (HPLC)	≥ 97.0%
Related Substances (HPLC)	Individual impurity ≤ 1.0%; Total impurities ≤ 2.0%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Complies with ICH Q3C guidelines

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