Description

(2R,3R,5R,11R)-3-(Hydroxymethyl)-9-Imino-2,3,5,9-Tetrahydro-2,5-Methanopyrimido[2,1-B][1,5,3]Dioxazepin-11-Ol is a complex, stereochemically defined heterocyclic compound with significant potential in advanced pharmaceutical research. This molecule's intricate fused-ring structure, featuring imino and hydroxymethyl functionalities, makes it a valuable chiral building block and intermediate for the synthesis of novel active pharmaceutical ingredients (APIs). It is primarily sought by pharmaceutical R&D teams and fine chemical manufacturers engaged in developing next-generation therapeutics, particularly in areas requiring high stereochemical purity.

Application

• Pharmaceutical Intermediate: Serves as a key chiral synthon in the multi-step synthesis of complex drug candidates, especially nucleoside analogs and antiviral agents.
• Antiviral Drug Research: Used as a building block in the research and development of novel antiviral compounds targeting specific viral enzymes.
• Medicinal Chemistry: Employed in structure-activity relationship (SAR) studies to explore new chemical entities with potential biological activity.
• Process Chemistry Development: Utilized for scaling up synthetic routes and optimizing production processes for advanced pharmaceutical intermediates.
• Biochemical Research: Acts as a potential inhibitor or probe in enzymatic studies due to its structural similarity to natural substrates.
• Custom Synthesis: A starting material for contract research organizations (CROs) and CDMOs performing bespoke synthesis for client projects.

Basic Information

Product Name	(2R,3R,5R,11R)-3-(Hydroxymethyl)-9-Imino-2,3,5,9-Tetrahydro-2,5-Methanopyrimido[2,1-B][1,5,3]Dioxazepin-11-Ol
CAS No.	6698-20-0
Molecular Formula	C11H13N3O4
Molecular Weight	251.24 g/mol
Synonyms	9-Imino-2,3,5,9-tetrahydro-3-(hydroxymethyl)-2,5-methanopyrimido[2,1-b][1,5,3]dioxazepin-11-ol, (2R,3R,5R,11R)-; 2,5-Methanopyrimido[2,1-b][1,5,3]dioxazepin-11-ol, 3-(hydroxymethyl)-9-imino-2,3,5,9-tetrahydro-, (2R,3R,5R,11R)-; (2R,3R,5R,11R)-3-(Hydroxymethyl)-9-imino-2,3,5,9-tetrahydro-2,5-methanopyrimido[2,1-b][1,5,3]dioxazepin-11-ol; Carbocyclic Oxetanocin A intermediate; COA-T intermediate; Cyclobut-A intermediate
EINECS	Contact for details

Quality Control

Our (2R,3R,5R,11R)-3-(Hydroxymethyl)-9-Imino-2,3,5,9-Tetrahydro-2,5-Methanopyrimido[2,1-B][1,5,3]Dioxazepin-11-Ol is produced under strict quality management systems. Each batch undergoes comprehensive analytical testing, including chiral purity analysis by HPLC, to ensure high stereochemical integrity and chemical purity suitable for pharmaceutical research. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided with every shipment to support your regulatory and R&D 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). This compound is hygroscopic (moisture-sensitive) and light-sensitive; therefore, containers must be kept tightly sealed in a dry environment and opened under controlled conditions to minimize exposure to atmospheric moisture and light.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% ee
Water Content (KF)	≤ 2.0%
Residue on Ignition	≤ 0.5%
Heavy Metals	≤ 20 ppm

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