Description

5aH-3,9a-Methano-1-benzoxepin-4,5,6,7,9,10-hexol, 5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 4,6,7-triacetate 5,10-dibenzoate, (3R,4S,5S,5aR,6R,7S,9S,9aS,10R)- is a complex, stereochemically defined organic compound of significant interest in advanced chemical synthesis. This high-purity, multi-functionalized intermediate is critical for research and development in the pharmaceutical and fine chemical sectors, where precise molecular architecture is paramount. It is primarily sought after by R&D chemists and process development scientists working on novel active pharmaceutical ingredients (APIs), complex natural product analogs, and specialty materials.

Application

• Pharmaceutical Intermediate: Serves as a key chiral building block in the multi-step synthesis of complex drug candidates, particularly in oncology and central nervous system (CNS) therapeutic areas.
• Advanced Organic Synthesis: Used in methodological research for developing new catalytic reactions, such as asymmetric hydrogenation or cross-coupling, due to its multiple functional groups.
• Natural Product Synthesis: Acts as a sophisticated precursor in the total synthesis of complex natural products with bridged polycyclic frameworks.
• Process Chemistry Development: Employed for scaling up synthetic routes under Current Good Manufacturing Practice (cGMP) conditions for pre-clinical and clinical trial material production.
• Chemical Reference Standard: Provides a high-purity standard for analytical method development and validation in quality control laboratories.
• Academic & Institutional Research: Utilized in university and research institute labs for exploring new chemical spaces and structure-activity relationships (SAR).

Basic Information

Product Name	5aH-3,9a-Methano-1-benzoxepin-4,5,6,7,9,10-hexol, 5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 4,6,7-triacetate 5,10-dibenzoate, (3R,4S,5S,5aR,6R,7S,9S,9aS,10R)-
CAS No.	1631992-80-7
Molecular Formula	Contact for details
Molecular Weight	Contact for details
Synonyms	(3R,4S,5S,5aR,6R,7S,9S,9aS,10R)-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-4,6,7-triacetate 5,10-dibenzoate of 5aH-3,9a-Methano-1-benzoxepin-4,5,6,7,9,10-hexol; Complex Benzoxepin Derivative; CAS 1631992-80-7; Stereoisomer of a Methano-benzoxepin hexol derivative; Multi-acylated Benzoxepin Intermediate; Chiral Polycyclic Ester.
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to rigorous quality protocols to ensure batch-to-batch consistency and purity suitable for sensitive synthetic applications. Quality is verified through a comprehensive suite of analytical techniques including HPLC, chiral HPLC, NMR, and mass spectrometry to confirm identity, isomeric purity, and chemical potency. A detailed Certificate of Analysis (COA) documenting all critical quality attributes is provided with each shipment. For projects requiring regulatory support, we can supply material produced under a quality management system aligned with ICH guidelines.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) or as specified on the certificate of analysis. This compound may be sensitive to moisture and should be handled under anhydrous conditions when appropriate. Keep container tightly sealed in a dry and well-ventilated place.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (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.