Description

4-[4-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-Yl)-Benzoyl]-[1,4]Diazepane-1-Carboxylic Acid tert-Butyl Ester is a sophisticated, high-purity chemical building block designed for advanced synthetic chemistry. This compound is critical for researchers and process chemists developing novel active pharmaceutical ingredients (APIs) and other fine chemicals. It is primarily utilized in the pharmaceutical, agrochemical, and advanced materials sectors where precise molecular construction is paramount.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of complex drug candidates, particularly those targeting the central nervous system (CNS) due to the diazepane moiety.
• Suzuki-Miyaura Cross-Coupling Reactions: The pinacol boronate ester group makes it an essential reagent for forming carbon-carbon bonds, a fundamental step in constructing complex organic molecules.
• Medicinal Chemistry Research: Used in lead optimization and structure-activity relationship (SAR) studies to explore new chemical entities.
• Agrochemical Synthesis: Serves as a building block for developing novel pesticides and herbicides with specific activity profiles.
• Material Science: Potential use in the synthesis of organic electronic materials and advanced polymers.
• Contract Research & Manufacturing (CRO/CMO): Supplied to organizations specializing in custom synthesis and scale-up services.

Basic Information

Product Name	4-[4-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-Yl)-Benzoyl]-[1,4]Diazepane-1-Carboxylic Acid tert-Butyl Ester
CAS No.	864754-14-3
Molecular Formula	C23H35BN2O5
Molecular Weight	430.35 g/mol
Synonyms	1-Boc-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]homopiperazine; tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]-1,4-diazepane-1-carboxylate; 1,4-Diazepane-1-carboxylic acid, 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]-, 1,1-dimethylethyl ester; 4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester; Boc-4-(4-Pinacolatoboranebenzoyl)homopiperazine
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems, ensuring batch-to-batch consistency and high purity. Each lot is characterized using advanced analytical techniques including NMR, HPLC, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your regulatory and research documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). The product is light-sensitive and should be handled under an inert atmosphere when appropriate for prolonged exposure. Keep the container tightly sealed to protect from 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.