Description

1H-Azepine-1,4-Dicarboxylic Acid, Hexahydro-, 1-(1,1-Dimethylethyl) Ester, (-)- is a high-purity, stereochemically defined azepane derivative that serves as a critical chiral building block in advanced organic synthesis. Its value lies in providing a rigid, functionalized seven-membered nitrogen heterocycle, enabling the construction of complex molecular architectures with precise three-dimensional control. This compound is essential for researchers and process chemists in the pharmaceutical and agrochemical industries, particularly for developing novel active ingredients and exploring new chemical space in drug discovery programs.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the synthesis of potential therapeutic agents, including protease inhibitors, GPCR modulators, and central nervous system (CNS) active compounds.
• Agrochemical Research: Used in constructing novel scaffolds for crop protection agents and pesticides, leveraging its unique azepane core for bioactivity.
• Asymmetric Catalysis Ligand Precursor: Serves as a starting material for developing novel chiral ligands and organocatalysts used in enantioselective transformations.
• Chemical Biology Probe Development: Employed in the design and synthesis of molecular probes to study enzyme function and biological pathways.
• Material Science Research: Investigated as a monomer or functional additive for creating specialty polymers with specific thermal or mechanical properties.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for client-specific custom synthesis projects requiring high-fidelity chiral intermediates.

Basic Information

Item	Detail
Product Name	1H-Azepine-1,4-Dicarboxylic Acid, Hexahydro-, 1-(1,1-Dimethylethyl) Ester, (-)-
CAS No.	1499189-38-6
Molecular Formula	C12H21NO4
Molecular Weight	243.30 g/mol
Synonyms	(-)-1-tert-Butyl Hexahydro-1H-azepine-1,4-dicarboxylate; (3S)-1-(tert-Butoxycarbonyl)azepane-4-carboxylic Acid; (S)-1-Boc-azepane-4-carboxylic Acid; 1-Boc-4-carboxyazepane (S enantiomer); (S)-1-N-Boc-4-carboxyazepane; Azepane-4-carboxylic acid, 1-(1,1-dimethylethyl) ester, (4S)-; (S)-1-(tert-Butoxycarbonyl)azepane-4-carboxylic Acid; (4S)-1-[(2-Methylpropan-2-yl)oxycarbonyl]azepane-4-carboxylic Acid
EINECS	Contact for details

Quality Control

Every batch of 1H-Azepine-1,4-Dicarboxylic Acid, Hexahydro-, 1-(1,1-Dimethylethyl) Ester, (-)- is manufactured under strict quality management systems. We provide comprehensive analytical documentation to ensure it meets the exacting standards required for research and development. Certificates of Analysis (COA) detailing identity, purity, chiral purity, and impurity profiles are available for each lot, supporting regulatory filings and quality assurance protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). This material is moisture-sensitive; keep the container tightly sealed under an inert atmosphere to maintain stability and prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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