Description

tert-Butyl 5-Oxo-7-Phenyl-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 essential for research and development chemists requiring a reliable and structurally defined building block for constructing complex nitrogen-containing heterocycles. It is primarily utilized in the pharmaceutical and agrochemical industries for the development of novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders and other therapeutic areas.
• Agrochemical Research: Used in the development of new pesticides and herbicides, leveraging its diazepane core structure.
• Chemical Synthesis Building Block: Employed in academic and industrial R&D for constructing complex, fused heterocyclic systems and peptidomimetics.
• Process Chemistry: Serves as a standardized intermediate in scale-up and optimization studies for new chemical entities (NCEs).
• Ligand and Catalyst Development: The nitrogen-rich structure makes it a candidate for developing novel chiral ligands or organocatalysts.

Basic Information

Product Name	tert-Butyl 5-Oxo-7-Phenyl-1,4-Diazepane-1-Carboxylate
CAS No.	220898-16-8
Molecular Formula	C16H22N2O3
Molecular Weight	290.36 g/mol
Synonyms	1-Boc-5-oxo-7-phenyl-1,4-diazepane; tert-Butyl 5-oxo-7-phenyl-1,4-diazepane-1-carboxylate; 7-Phenyl-1,4-diazepan-5-one-1-carboxylic acid tert-butyl ester; 1,4-Diazepane-1-carboxylic acid, 5-oxo-7-phenyl-, 1,1-dimethylethyl ester; 1-N-Boc-5-oxo-7-phenyl-1,4-diazepane; 5-Oxo-7-phenyl-1,4-diazepane-1-carboxylic acid tert-butyl ester; Boc-5-oxo-7-phenyl-1,4-diazepane
EINECS	Contact for details

Quality Control

Our tert-Butyl 5-Oxo-7-Phenyl-1,4-Diazepane-1-Carboxylate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. A Certificate of Analysis (COA) detailing all specifications is provided with every shipment to guarantee compliance with your research and production requirements.

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). Due to its hygroscopic nature, the container must be kept tightly sealed to prevent moisture absorption, which may affect stability and performance.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference
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.