Description

1H-Azepine-1-Carboxylic Acid, 2,3,4,7-Tetrahydro-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, 1,1-Dimethylethyl Ester is a high-value, advanced pharmaceutical intermediate featuring a protected boronic ester functional group. This compound is critical for enabling efficient cross-coupling reactions, such as the Suzuki-Miyaura reaction, which are foundational to modern medicinal chemistry. It is primarily sought after by research institutions and pharmaceutical companies engaged in the synthesis of novel, complex heterocyclic compounds for drug discovery and development programs.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs) targeting central nervous system (CNS) disorders, oncology, and other therapeutic areas.
• Suzuki-Miyaura Cross-Coupling Reactions: The protected boronic ester moiety serves as a crucial coupling partner for the formation of carbon-carbon bonds, enabling the construction of complex molecular architectures.
• Medicinal Chemistry & Drug Discovery: Used in lead optimization and library synthesis to explore structure-activity relationships (SAR) and develop new drug candidates.
• Process Chemistry & Scale-Up: Employed in the development of robust and scalable synthetic routes from laboratory to pilot plant and commercial production.
• Academic & Contract Research: Essential for synthetic organic chemistry research in universities and contract research organizations (CROs) focusing on novel heterocyclic chemistry.
• Agrochemical Intermediate: Potential application in the synthesis of novel herbicides or fungicides with complex azepine-based structures.

Basic Information

Product Name	1H-Azepine-1-Carboxylic Acid, 2,3,4,7-Tetrahydro-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, 1,1-Dimethylethyl Ester
CAS No.	951259-25-9
Molecular Formula	C17H30BNO4
Molecular Weight	323.24 g/mol
Synonyms	tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,7-tetrahydro-1H-azepine-1-carboxylate; 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,7-tetrahydro-1H-azepine-1-carboxylic acid tert-butyl ester; 1-Boc-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,7-tetrahydro-1H-azepine; Boc-azepine-boronic ester pinacol ester; Azepine boronic acid pinacol ester, N-Boc protected
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems. Every batch is characterized and tested using advanced analytical techniques including HPLC, NMR (1H, 13C, 11B), and mass spectrometry to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with each shipment. We support cGMP compliance for pharmaceutical applications, and specifications can be aligned with client requirements for drug substance registration.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 2-8°C or as specified on the label or COA. This material is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when prolonged exposure is anticipated to maintain stability and purity.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥97.0%
Assay	≥95.0% (by NMR)
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.