Description

(S)-3-(tert-Butoxycarbonylamino)-2,3-Dihydro-1,5(5H)-Benzoxazepin-4-One is a high-purity chiral building block and advanced pharmaceutical intermediate of significant commercial importance. Its core value lies in its role as a key synthon for the synthesis of complex, biologically active molecules, particularly in the development of new therapeutic agents. This compound is essential for research and production teams in the pharmaceutical, biotechnology, and fine chemical sectors who require reliable, high-quality intermediates for drug discovery and process development.

Application

• Pharmaceutical Intermediate: A critical chiral precursor in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for central nervous system (CNS) and other therapeutic targets.
• Drug Discovery & Medicinal Chemistry: Serves as a versatile scaffold for constructing compound libraries and exploring structure-activity relationships (SAR) in early-stage research.
• Asymmetric Synthesis: Utilized in stereoselective reactions to introduce the (S)-configured amino group into complex molecular architectures.
• Process Chemistry & Scale-Up: Employed in the development and optimization of robust, scalable synthetic routes for candidate drugs.
• Protease Inhibitor Research: The benzoxazepinone core structure is relevant in the design of inhibitors for various enzymatic targets.
• Custom Synthesis & Contract Manufacturing: A key starting material for custom synthesis organizations (CSOs) and CDMOs producing specialized compounds for clients.

Basic Information

Product Name	(S)-3-(tert-Butoxycarbonylamino)-2,3-Dihydro-1,5(5H)-Benzoxazepin-4-One
CAS No.	99197-80-5
Molecular Formula	C16H20N2O4
Molecular Weight	304.34 g/mol
Synonyms	(S)-3-((tert-Butoxycarbonyl)amino)-2,3-dihydro-1,5-benzoxazepin-4(5H)-one; (S)-3-(Boc-amino)-2,3-dihydro-1,5-benzoxazepin-4-one; Boc-(S)-Amino-Benzoxazepinone; (S)-3-(N-Boc-amino)-2,3-dihydro-1,5-benzoxazepin-4(5H)-one; (S)-3-[(tert-Butoxycarbonyl)amino]-2,3-dihydro-1,5-benzoxazepin-4(5H)-one; tert-Butyl (S)-(4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)carbamate
EINECS	Contact for details

Quality Control

Our production of (S)-3-(tert-Butoxycarbonylamino)-2,3-Dihydro-1,5(5H)-Benzoxazepin-4-One adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity suitable for pharmaceutical research. Each lot undergoes comprehensive analytical testing, including chiral purity verification by HPLC. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided and available upon request, supporting compliance with cGMP and ICH guidelines for advanced intermediates.

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 hygroscopic nature, the container must be kept tightly sealed to exclude moisture. For long-term storage, consider using desiccants.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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