Description

4-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-Yl)-2,3,6,7-Tetrahydro-Azepine-1-Carboxylic Acid tert-Butyl Ester is a highly valuable, advanced pharmaceutical intermediate featuring a protected azepine ring and a pinacol boronate ester functional group. This compound matters as a critical building block in modern medicinal chemistry, enabling efficient cross-coupling reactions for the synthesis of complex nitrogen-containing heterocycles. Pharmaceutical R&D and process chemistry teams need it for the development of novel active pharmaceutical ingredients (APIs), particularly in therapeutic areas targeting the central nervous system and oncology.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly those containing seven-membered nitrogen heterocycles (azepines).
• Suzuki-Miyaura Cross-Coupling Reactions: The pinacol boronate ester group serves as a versatile handle for forming carbon-carbon bonds with aryl or vinyl halides, a cornerstone reaction in API synthesis.
• Medicinal Chemistry & Drug Discovery: Used in lead optimization and structure-activity relationship (SAR) studies to explore new chemical entities.
• Process Chemistry & Scale-Up: Employed in the development and optimization of scalable synthetic routes for potential commercial APIs.
• Chemical Biology Research: Can be utilized as a probe or linker in the development of chemical tools for biological target identification and validation.
• Custom Synthesis & Contract Manufacturing: Sourced by CDMOs (Contract Development and Manufacturing Organizations) for client-specific synthesis projects.

Basic Information

Product Name	4-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-Yl)-2,3,6,7-Tetrahydro-Azepine-1-Carboxylic Acid tert-Butyl Ester
CAS No.	1268816-65-4
Molecular Formula	C17H30BNO4
Molecular Weight	323.24 g/mol
Synonyms	tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,6,7-tetrahydro-1H-azepine-1-carboxylate; 1-Boc-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,6,7-tetrahydro-1H-azepine; 4-(Pinacolatoboryl)-2,3,6,7-tetrahydro-1H-azepine-1-carboxylic acid tert-butyl ester; 1-N-Boc-4-(pinacolboron)azepane; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,6,7-tetrahydro-1H-azepine-1-carboxylic acid tert-butyl ester
EINECS	Contact for details

Quality Control

Our 4-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-Yl)-2,3,6,7-Tetrahydro-Azepine-1-Carboxylic Acid tert-Butyl Ester is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, 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 production adheres to cGMP principles where applicable, 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 place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when opening the container for use to prevent degradation. For long-term storage, consider storing desiccated at 2-8°C.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Conforms
Identification (NMR)	Conforms
Purity (HPLC)	≥95% (Typical 97-99%)
Water Content (KF)	≤0.5%

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