Description

1,4-Oxazepine-3,4(5H)-Dicarboxylic Acid, Tetrahydro-, 4-(1,1-Dimethylethyl) Ester, (3S)- is a high-purity, stereochemically defined chiral building block of significant interest in advanced organic synthesis. Its value lies in its complex heterocyclic oxazepine core, which serves as a versatile scaffold for constructing pharmacologically active molecules. This compound is primarily needed by research institutions and pharmaceutical development teams working on novel drug candidates, particularly in the areas of central nervous system (CNS) agents and enzyme inhibitors.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the research and development of new active pharmaceutical ingredients (APIs).
• Medicinal Chemistry Research: Used as a constrained scaffold for constructing compound libraries in high-throughput screening and structure-activity relationship (SAR) studies.
• Asymmetric Synthesis: Employed as a building block in stereoselective reactions to introduce complex molecular architecture.
• Chemical Biology Probes: Serves as a precursor for developing tool compounds to study biological pathways and protein function.
• Process Chemistry Development: Used in route scouting and optimization for the scalable synthesis of target molecules.

Basic Information

Item	Details
Product Name	1,4-Oxazepine-3,4(5H)-Dicarboxylic Acid, Tetrahydro-, 4-(1,1-Dimethylethyl) Ester, (3S)-
CAS No.	1932812-70-8
Molecular Formula	C11H17NO5
Molecular Weight	243.26 g/mol
Synonyms	(3S)-4-(tert-Butoxycarbonyl)-3,4,5,6-tetrahydro-1,4-oxazepine-3-carboxylic acid; tert-Butyl (3S)-3-carboxy-2,3,4,5-tetrahydro-1,4-oxazepine-4-carboxylate; (3S)-4-Boc-3,4,5,6-tetrahydro-1,4-oxazepine-3-carboxylic acid; Boc-(S)-Aze(4)-OH (Oxazepine analog); (S)-4-(tert-Butoxycarbonyl)-3,4,5,6-tetrahydro-1,4-oxazepine-3-carboxylic acid; 1,4-Oxazepine-3,4-dicarboxylic acid, tetrahydro-, 4-(1,1-dimethylethyl) ester, (3S)-; (3S)-4-(tert-Butyl) 3-methyl 3,4,5,6-tetrahydro-1,4-oxazepine-3,4-dicarboxylate (methyl ester derivative precursor)
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. Every batch is characterized using advanced analytical techniques to confirm identity, purity, and chiral integrity. Certificates of Analysis (COA) are available upon request, detailing specifications such as chiral purity (enantiomeric excess), chemical purity by HPLC, and residual solvent content.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (typically 15-25°C). This compound may be hygroscopic (moisture-sensitive); therefore, the container should be kept tightly sealed in a dry environment. For long-term storage, consider storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% e.e.
Water Content (KF)	≤ 1.0%
Residual Solvents (GC)	Meets ICH guidelines

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