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1,4-Dimethyl-1,2,4-triazolium Iodide

Catalog Number
ACM120317693-1
Product Name
1,4-Dimethyl-1,2,4-triazolium Iodide
Structure
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CAS
120317-69-3
  • Product Overview
  • Usage
Synonyms
1,4-Dimethyl-4H-1,2,4-triazolium iodide
IUPAC Name
1,4-dimethyl-1,2,4-triazol-4-ium;iodide
Molecular Weight
225.03
Molecular Formula
C4H8IN3
Canonical SMILES
CN1C=[N+](C=N1)C.[I-];
InChI
IMFBMMNQDMTHGG-UHFFFAOYSA-M
InChI Key
InChI=1S/C4H8N3.HI/c1-6-3-5-7(2)4-6;/h3-4H,1-2H3;1H/q+1;/p-1
Melting Point
120-125 °C
Purity
97%
Appearance
Solid
Complexity
64
Covalently-Bonded Unit Count
2
Exact Mass
224.976g/mol
H-Bond Acceptor
2
Heavy Atom Count
8
Isomeric SMILES
CN1C=[N+](C=N1)C.[I-]
Monoisotopic Mass
224.976g/mol
Topological Polar Surface Area
21.7A^2
Application
1,4-Dimethyl-1,2,4-triazolium iodide is designed to serve as a versatile catalyst, facilitating a range of chemical reactions with improved efficiency and selectivity. Its primary purpose is to enhance oxidative Michael addition reactions, allowing for smoother transitions and higher yields. Additionally, it plays a crucial role in oxidative amidation or azidation processes, which are essential for forming amide or azide compounds with precision. The catalyst also supports asymmetric acylation, providing a valuable tool for creating chiral molecules with specific stereospecificity. Its multifunctional capabilities make it an indispensable component in synthetic organic chemistry, simplifying complex transformations and expanding the possibilities for innovative research and development.
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