Description

tert-Butyl 5-Methyl-3-Oxo-1,4-Diazepane-1-Carboxylate is a high-purity, protected diazepane derivative serving as a critical advanced intermediate in modern organic synthesis. This compound is valued for its role in constructing complex nitrogen-containing heterocycles, which are core scaffolds in numerous active pharmaceutical ingredients. It is primarily utilized by research institutions and pharmaceutical manufacturers engaged in the development of novel therapeutic agents, particularly within medicinal chemistry and process R&D.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel drug candidates, particularly those targeting the central nervous system (CNS).
• Medicinal Chemistry Research: Used in lead optimization and structure-activity relationship (SAR) studies to develop new pharmacophores.
• Process Chemistry Development: Serves as a standardized intermediate for scaling up synthetic routes under Good Manufacturing Practice (GMP) conditions.
• Heterocyclic Compound Synthesis: Essential for constructing complex diazepane and fused ring systems prevalent in bioactive molecules.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of bespoke APIs and fragments.

Basic Information

Product Name	tert-Butyl 5-Methyl-3-Oxo-1,4-Diazepane-1-Carboxylate
CAS No.	179686-61-4
Molecular Formula	C11H20N2O3
Molecular Weight	228.29 g/mol
Synonyms	1-Boc-5-methyl-3-oxo-1,4-diazepane; tert-Butyl 5-methyl-3-oxo-1,4-diazepane-1-carboxylate; 1,4-Diazepane-1-carboxylic acid, 5-methyl-3-oxo-, 1,1-dimethylethyl ester; 1-(tert-Butoxycarbonyl)-5-methyl-1,4-diazepan-3-one; 5-Methyl-3-oxo-1,4-diazepane-1-carboxylic acid tert-butyl ester; Boc-5-methyl-3-oxo-1,4-diazepane
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. Each batch is characterized and controlled using advanced analytical techniques to guarantee identity, purity, and consistency. Certificates of Analysis (COA) with detailed chromatographic data are available upon request. We adhere to strict quality management protocols suitable for research and development applications.

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 material is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions to maintain stability and purity.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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