119451-78-4 Usage
Description
1,4-Diazabicyclo[2.2.2]octane-d12, with the chemical formula C6D12N2, is an isotopically labeled research compound. It is a deuterated version of 1,4-diazabicyclo[2.2.2]octane (DABCO), where hydrogen atoms are replaced with deuterium atoms. 1,4-Diazabicyclo[2.2.2]octane-d12 is commonly used in scientific research for various applications due to its stable isotope properties.
Uses
Used in Chemical Synthesis:
1,4-Diazabicyclo[2.2.2]octane-d12 is used as a reagent in chemical synthesis for the preparation of deuterated compounds. The use of deuterated compounds can help in studying reaction mechanisms and understanding the role of hydrogen bonding in chemical reactions.
Used in NMR Spectroscopy:
In nuclear magnetic resonance (NMR) spectroscopy, 1,4-Diazabicyclo[2.2.2]octane-d12 serves as a reference compound for calibration and as a solvent for deuterium (2H) NMR experiments. The deuterium-labeled nature of the compound allows for the study of hydrogen-deuterium exchange processes and the investigation of molecular dynamics in solution.
Used in Catalysis Research:
1,4-Diazabicyclo[2.2.2]octane-d12 is used as a catalyst or a catalyst precursor in various chemical reactions. The deuterated form provides insights into the catalytic mechanisms and helps in the development of more efficient catalytic systems.
Used in Material Science:
In the field of material science, 1,4-Diazabicyclo[2.2.2]octane-d12 can be used for the synthesis of deuterated materials, which can exhibit altered physical and chemical properties compared to their non-deuterated counterparts. This can be useful for studying the effects of isotopic substitution on material properties and for developing new materials with specific characteristics.
Used in Pharmaceutical Research:
1,4-Diazabicyclo[2.2.2]octane-d12 is used in pharmaceutical research for the synthesis of deuterated drug candidates. Deuterium-labeled drugs can have improved pharmacokinetic and pharmacodynamic properties, leading to enhanced therapeutic efficacy and reduced side effects.
Used in Environmental Studies:
In environmental studies, 1,4-Diazabicyclo[2.2.2]octane-d12 can be used as a tracer compound to investigate the behavior of chemicals in the environment. The deuterium-labeled compound can provide valuable information on the transport, degradation, and fate of pollutants in various environmental compartments.
Check Digit Verification of cas no
The CAS Registry Mumber 119451-78-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,9,4,5 and 1 respectively; the second part has 2 digits, 7 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 119451-78:
(8*1)+(7*1)+(6*9)+(5*4)+(4*5)+(3*1)+(2*7)+(1*8)=134
134 % 10 = 4
So 119451-78-4 is a valid CAS Registry Number.
InChI:InChI=1/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
119451-78-4Relevant articles and documents
Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding
Catalano, Luca,Pérez-Estrada, Salvador,Terraneo, Giancarlo,Pilati, Tullio,Resnati, Giuseppe,Metrangolo, Pierangelo,Garcia-Garibay, Miguel A.
, p. 15386 - 15389 (2015)
A modular molecular kit for the preparation of crystalline molecular rotors was devised from a set of stators and rotators to gain simple access to a large number of structures with different dynamic performance and physical properties. In this work, we have accomplished this with crystalline molecular rotors self-assembled by halogen bonding of diazabicyclo[2.2.2]octane, acting as a rotator, and a set of five fluorine-substituted iodobenzenes that take the role of the stator. Using variableerature 1H T1 spin-lattice relaxation measurements, we have shown that all structures display ultrafast Brownian rotation with activation energies of 2.4-4.9 kcal/mol and pre-exponential factors of the order of (1-9) × 1012 s-1. Line shape analysis of quadrupolar echo 2H NMR measurements in selected examples indicated rotational trajectories consistent with the 3-fold or 6-fold symmetric potential of the rotator.
