2206-26-0 Usage
Description
Acetonitrile-d3 (Trideuteroacetonitrile, CD3CN) is a deuterated Nuclear Magnetic Resonance (NMR) solvent that is a colorless liquid. It is characterized by its molecular rotational friction coefficient and magnetic relaxation times (T1) for 14N and 2D. It is used as a solvent in the synthesis of various compounds, including 2-phenylindole, and plays a significant role in 1H NMR (Proton Nuclear Magnetic Resonance) and 13C NMR (Carbon-13 Nuclear Magnetic Resonance) spectral studies.
Uses
1. Organic Synthesis:
Acetonitrile-d3 is used as a polar aprotic solvent in organic synthesis, facilitating various chemical reactions and improving the efficiency of the process.
2. Isotope Labeled Applications:
Isotope labeled Acetonitrile is utilized as a polar aprotic solvent in organic synthesis, providing a means to track and study the behavior of specific isotopes in chemical reactions.
3. IR and NMR Solvent:
Acetonitrile-d3 serves as an effective solvent for Infrared (IR) and Nuclear Magnetic Resonance (NMR) spectroscopy, enhancing the accuracy and clarity of spectral data.
4. Probe for Zeolite Acidity:
It is used as a probe to measure the acidity of zeolites, which are microporous aluminosilicate minerals used as catalysts in various industrial processes.
5. HPLC-SPE (High-Performance Liquid Chromatography Solid-Phase Extraction) NMR Technique:
Acetonitrile-d3 is employed as a cartridge eluent in the HPLC-SPE-NMR technique, which is a powerful analytical tool for the separation, identification, and quantification of compounds in complex mixtures.
6. Pharmaceutical and Chemical Research:
Due to its unique properties, Acetonitrile-d3 is used in various research applications, particularly in the pharmaceutical and chemical industries, for the development and analysis of new compounds and materials.
Check Digit Verification of cas no
The CAS Registry Mumber 2206-26-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,2,0 and 6 respectively; the second part has 2 digits, 2 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 2206-26:
(6*2)+(5*2)+(4*0)+(3*6)+(2*2)+(1*6)=50
50 % 10 = 0
So 2206-26-0 is a valid CAS Registry Number.
InChI:InChI=1/C2H3N/c1-2-3/h1H3/i1D3
2206-26-0Relevant articles and documents
Reaction of 3-Chloro-3-methyldiazirines with Hydrogen Atoms
Burkholder, C. D.,Jones, W. E.,Wasson, J. S.,Liu, M. T. H.
, p. 2847 - 2848 (1980)
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Leitch
, p. 345 (1957)
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Organocatalytic Deuteration Induced by the Dynamic Covalent Interaction of Imidazolium Cations with Ketones
Ananikov, Valentine P.,Galkin, Konstantin I.,Gordeev, Evgeniy G.
supporting information, p. 1368 - 1378 (2021/01/18)
In this article, we suggest a new organocatalytic approach based on the dynamic covalent interaction of imidazolium cations with ketones. A reaction of N-alkyl imidazolium salts with acetone-d6 in the presence of oxygenated bases generates a dynamic organocatalytic system with a mixture of protonated carbene/ketone adducts acting as H/D exchange catalysts. The developed methodology of the pH-dependent deuteration showed high selectivity of labeling and good chiral functional group tolerance. Here we report a unique methodology for efficient metal-free deuteration, which enables labeling of various types of α-acidic compounds without trace metal contamination. (Figure presented.).
Ruthenium-catalyzed selective α-deuteration of aliphatic nitriles using D2O
Krishnakumar, Varadhan,Gunanathan, Chidambaram
supporting information, p. 8705 - 8708 (2018/08/07)
Selective catalytic α-deuteration of aliphatic nitriles using deuterium oxide as a deuterium source is reported. A PNP-ruthenium pincer complex catalyzed the α-deuteration of aliphatic nitriles including acetonitrile. Efficient deuteration occurred with a low catalyst load (0.2 to 0.5 mol%) and under mild conditions. A [2+2] cycloadduct formation from nitrile functionality and a deprotonated catalytic intermediate, followed by an imine-enamine tautomerization and a H/D exchange between the enamine intermediate and deuterium oxide leading to the selective deuteration at the α-position of the nitrile, is proposed as a plausible reaction mechanism.
(2+2)-Cycloreversionsprodukte aus 2-(Methylazo)propen?
Remmler, Matthias,Ondruschka, Bernd,Ziegler, Ulrich,Zimmermann, Gerhard
, p. 396 - 397 (2007/10/02)
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