Description

1,4-Benzoxazepine-4(5H)-Carboxylic Acid, 2,3-Dihydro-7-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, 1,1-Dimethylethyl Ester is a high-value, advanced pharmaceutical intermediate featuring a pinacol boronate ester functional group. This compound is critical for enabling Suzuki-Miyaura cross-coupling reactions, a cornerstone methodology in modern medicinal chemistry for constructing complex biaryl and heterobiaryl scaffolds. It is primarily utilized by research institutions and pharmaceutical companies engaged in the discovery and development of novel active pharmaceutical ingredients (APIs), particularly within oncology and central nervous system (CNS) therapeutic areas.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of complex drug candidates, especially those containing a benzoxazepine core structure.
• Suzuki-Miyaura Cross-Coupling Reagent: The boronate ester moiety allows for efficient, palladium-catalyzed carbon-carbon bond formation with aryl or heteroaryl halides, enabling rapid diversification of molecular libraries.
• Medicinal Chemistry Research: Used in hit-to-lead and lead optimization campaigns to explore structure-activity relationships (SAR) and improve the potency and selectivity of potential therapeutics.
• Process Chemistry Development: Employed in the scale-up and route scouting for the commercial manufacturing of target APIs.
• Chemical Biology Probes: Can be utilized to create labeled or tagged molecules for studying biological pathways and target engagement.

Basic Information

Product Name	1,4-Benzoxazepine-4(5H)-Carboxylic Acid, 2,3-Dihydro-7-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, 1,1-Dimethylethyl Ester
CAS No.	1256784-52-7
Molecular Formula	C20H28BNO5
Molecular Weight	373.25 g/mol
Synonyms	tert-Butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate; 2,3-Dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-benzoxazepine-4(5H)-carboxylic acid 1,1-dimethylethyl ester; 7-BPin-DHBO-C(O)OtBu; BOC-DHBO-BPin; CAS 1256784-52-7
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems to ensure batch-to-batch consistency and high purity. Each lot undergoes comprehensive analytical characterization, including HPLC for purity, NMR (1H, 13C, 11B) for structural confirmation, and mass spectrometry. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting all critical quality attributes. We support development under cGMP guidelines for pharmaceutical applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a freezer at -20°C or below under an inert atmosphere (e.g., nitrogen or argon) to minimize degradation due to moisture sensitivity and potential oxidation. Allow the sealed container to equilibrate to room temperature before opening to prevent condensation.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Conforms to reference standard
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥97.0% (Area %)
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.