Description

1H-Azepine-1-Carboxylic Acid, 3-Formylhexahydro-, 1,1-Dimethylethyl Ester is a high-purity, advanced pharmaceutical intermediate characterized by its unique azepine ring structure and formyl functional group. This compound is critical for research and development in medicinal chemistry, particularly in the synthesis of novel, complex active pharmaceutical ingredients (APIs). It is primarily sought after by pharmaceutical R&D laboratories and fine chemical manufacturers engaged in the development of new therapeutic agents, including potential treatments for central nervous system disorders and other specialized applications.

Application

• Pharmaceutical Intermediate: A key building block in the multi-step synthesis of complex drug candidates and novel active pharmaceutical ingredients (APIs).
• Medicinal Chemistry Research: Used in lead optimization and structure-activity relationship (SAR) studies to develop new therapeutic molecules.
• Process Chemistry Development: Serves as a critical precursor for scaling up synthetic routes from laboratory to pilot plant and commercial production.
• Contract Research & Manufacturing (CRO/CMO): Supplied to organizations specializing in custom synthesis and development services for the pharmaceutical industry.
• Academic Research: Utilized in university and institutional labs for studying heterocyclic chemistry and developing new synthetic methodologies.

Basic Information

Product Name	1H-Azepine-1-Carboxylic Acid, 3-Formylhexahydro-, 1,1-Dimethylethyl Ester
CAS No.	1440961-03-4
Molecular Formula	C12H19NO3
Molecular Weight	225.28 g/mol
Synonyms	tert-Butyl 3-formylhexahydro-1H-azepine-1-carboxylate; 1-Boc-3-formylhexahydroazepine; 3-Formylhexahydro-1H-azepine-1-carboxylic acid tert-butyl ester; 1-(tert-Butoxycarbonyl)-3-formylhexahydroazepine; Boc-3-formyl-hexahydroazepine; N-Boc-3-formylazepane; Azepane-1,3-dicarboxylic acid 1-tert-butyl ester 3-aldehyde; 3-Formylazepane-1-carboxylic acid tert-butyl ester
EINECS	Contact for details

Quality Control

Our 1H-Azepine-1-Carboxylic Acid, 3-Formylhexahydro-, 1,1-Dimethylethyl Ester is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical quality attributes. Our commitment to quality supports compliance with cGMP guidelines for pharmaceutical intermediates, ensuring reliability for your most demanding R&D and scale-up projects.

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 sensitivity to oxidation, it is recommended to store the material under an inert atmosphere (e.g., nitrogen) for long-term preservation. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white solid or clear to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH Q3C guidelines

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