Description

3,6-Diazabicyclo[3.1.1]Heptane is a high-purity bicyclic diamine compound with the CAS number 421554-68-9, serving as a versatile and valuable building block in advanced organic synthesis. Its unique constrained bridged structure makes it a critical precursor for developing novel pharmaceuticals, agrochemicals, and specialty materials. This compound is particularly sought after by research and development teams in the pharmaceutical industry for creating new active ingredients and by fine chemical manufacturers producing complex molecular architectures.

Application

• Pharmaceutical Intermediate: A key chiral scaffold and building block for the synthesis of novel drug candidates, particularly in central nervous system (CNS) and antiviral research.
• Agrochemical Synthesis: Used in the development of new-generation herbicides, fungicides, and insecticides with specific activity profiles.
• Ligand and Catalyst Development: Serves as a precursor for creating sophisticated chelating ligands and organocatalysts used in asymmetric synthesis.
• Material Science Research: Employed in the synthesis of novel polymers, dendrimers, and supramolecular structures with tailored properties.
• Chemical Biology Probes: Utilized as a core structure for designing molecular probes and tools to study biological systems.
• Custom Synthesis and Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for client-specific synthesis projects.

Basic Information

Product Name	3,6-Diazabicyclo[3.1.1]Heptane
CAS No.	421554-68-9
Molecular Formula	C5H10N2
Molecular Weight	98.15 g/mol
Synonyms	3,6-Diazabicyclo[3.1.1]heptane; Bicyclo[3.1.1]heptane-3,6-diamine; 3,6-Diazatricyclo[3.1.1.0]heptane; 3-Azabicyclo[3.1.1]heptan-6-amine; 3,6-Diazabicyclo[3.1.1]heptane (stereoisomer); 3,6-Diazabicyclo[3.1.1]heptane, 3,6-DABH
EINECS	Contact for details

Quality Control

Our 3,6-Diazabicyclo[3.1.1]Heptane is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure it meets the high standards required for research and commercial synthesis. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting identity, purity, and impurity profiles.

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 under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and degradation.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 1.0%
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.