Description

3-Phenyl-[1,4]Diazepane-1-Carboxylic Acid tert-Butyl Ester is a high-value, protected heterocyclic building block essential for advanced organic synthesis. This compound is critical for medicinal chemistry research and development, serving as a key precursor in the creation of novel pharmacologically active molecules. It is primarily utilized by pharmaceutical R&D laboratories and fine chemical manufacturers focused on developing new therapeutic agents, particularly in central nervous system (CNS) and oncology-related drug discovery programs.

Application

• Pharmaceutical Intermediate: A crucial scaffold for the synthesis of novel diazepane-based drug candidates targeting various disease pathways.
• Medicinal Chemistry Research: Used in high-throughput screening and structure-activity relationship (SAR) studies to optimize lead compounds.
• CNS Drug Development: Serves as a core structure for developing potential therapeutics for neurological and psychiatric disorders.
• Protease Inhibitor Synthesis: Employed in the construction of complex molecules designed to inhibit specific enzymes.
• Chemical Biology Probes: Utilized to create tool compounds for studying biological processes and target validation.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of APIs (Active Pharmaceutical Ingredients) at various scales.

Basic Information

Item	Detail
Product Name	3-Phenyl-[1,4]Diazepane-1-Carboxylic Acid tert-Butyl Ester
CAS No.	1211596-44-9
Molecular Formula	C16H24N2O2
Molecular Weight	276.38 g/mol
Synonyms	tert-Butyl 3-phenyl-1,4-diazepane-1-carboxylate; 1,4-Diazepane-1-carboxylic acid, 3-phenyl-, 1,1-dimethylethyl ester; 3-Phenyl-1,4-diazepane-1-carboxylic acid tert-butyl ester; 1-Boc-3-phenyl-1,4-diazepane; 3-Phenyl-1-(tert-butoxycarbonyl)-1,4-diazepane; 1-N-Boc-3-phenylhomopiperazine
EINECS	Contact for details

Quality Control

Our 3-Phenyl-[1,4]Diazepane-1-Carboxylic Acid tert-Butyl Ester is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with every shipment, confirming compliance with customer specifications and industry best practices for advanced pharmaceutical intermediates.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (15-25°C). Keep the container tightly sealed in a dry environment to minimize exposure to moisture.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
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.