Description

1,4-Diazabicyclo[2.2.2]Octane-D12 is a perdeuterated isotopologue of the common organic base DABCO, where all twelve hydrogen atoms are replaced with deuterium. This compound is a critical reagent for advanced research, offering unique properties for mechanistic studies and spectroscopic analysis. It is primarily utilized by researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials sectors, where isotopic labeling is essential for tracing reaction pathways and developing novel compounds.

Application

• NMR Spectroscopy & Mechanistic Studies: Serves as a deuterated internal standard or shift reference in nuclear magnetic resonance (NMR) spectroscopy, aiding in the structural elucidation of complex molecules.
• Isotope Labeling in Pharmaceutical R&D: Used as a building block to synthesize deuterated drug candidates, potentially improving metabolic stability and pharmacokinetic profiles.
• Catalysis Research: Acts as a deuterated analog of the well-known catalyst and base DABCO, enabling detailed kinetic and mechanistic investigations in organocatalysis and polymer chemistry.
• Mass Spectrometry Standards: Employed as a high-purity standard in mass spectrometry for calibration and quantitative analysis due to its defined isotopic pattern.
• Advanced Material Synthesis: Facilitates the development of deuterated polymers and organic electronic materials, where deuterium substitution can alter physical properties and stability.

Basic Information

Product Name	1,4-Diazabicyclo[2.2.2]Octane-D12
CAS No.	119451-78-4
Molecular Formula	C6D12N2
Molecular Weight	116.23 g/mol
Synonyms	DABCO-d12; Triethylenediamine-d12; 1,4-Diazabicyclo[2.2.2]octane-d12; 1,4-Diazaperdeuterobicyclo[2.2.2]octane; TEDA-d12; Perdeuterated DABCO; 1,4-Diazabicyclo[2.2.2]octane-1,2,3,4,5,6,7,8,9,10,11,12-d12; 1,4-Ethylenepiperazine-d12 (derivative)
EINECS	Contact for details

Quality Control

Our 1,4-Diazabicyclo[2.2.2]Octane-D12 is manufactured under strict quality systems to ensure high isotopic and chemical purity suitable for sensitive research applications. Each batch is supported by a comprehensive Certificate of Analysis (COA) detailing key parameters such as isotopic enrichment (D atom %), chemical purity, and identity confirmation. We adhere to cGMP principles for research chemicals, ensuring traceability and batch-to-batch consistency.

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 in a dry environment to prevent moisture absorption, which can affect purity and stability. Keep away from incompatible materials such as strong acids and oxidizers.

Specification

Item	Specification
Appearance	White to off-white crystalline solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Enrichment (D atom %)	≥ 98.0%
Water Content (KF)	≤ 0.5%

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