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

Base Information

• Chemical Name: 1,4-Dimethyl-1,2,4-triazolium Iodide
• CAS No.: 120317-69-3
• Molecular Formula: C4H8IN3
• Molecular Weight: 225.03089
• European Community (EC) Number: 631-394-8
• DSSTox Substance ID: DTXSID40450929
• Mol file: 120317-69-3.mol

Synonyms:1,4-Dimethyl-1,2,4-triazolium Iodide;120317-69-3;1,4-dimethyl-1,2,4-triazol-4-ium;iodide;1,4-Dimethyl-4H-1,2,4-triazolium iodide;SCHEMBL2194808;SCHEMBL14891099;DTXSID40450929;MFCD00666522;AKOS024341677;1,4-Dimethyl-1,2,4-triazoliumIodide;CS-0085417;D3962;T70137;1,4-dimethyl-4H-1,2,4-triazol-1-ium iodide;1,4-Dimethyl-4H-(1,2,4) triazol-1-ium iodide;1,4-Dimethyl-4H-1,2,4-triazolium iodide, 95%

Chemical Property of 1,4-Dimethyl-1,2,4-triazolium Iodide

Chemical Property:

• Melting Point: 118.0 to 124.0 °C
• PSA: 21.70000
• LogP: -3.75140
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 224.97629
• Heavy Atom Count: 8
• Complexity: 64

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,4-Dimethyl-1,2,4-triazolium Iodide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=[N+](C=N1)C.[I-]
• Uses: Catalyst for:Oxidative Michael addition reactionsOxidative amidation or azidationAsymmetric acylation

Technology Process of 1,4-Dimethyl-1,2,4-triazolium Iodide

There total 4 articles about 1,4-Dimethyl-1,2,4-triazolium Iodide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

1,2,4-Triazole (288-88-0) + methyl iodide (74-88-4) → 1,4-dimethyl-1,2,4-triazolium iodide (120317-69-3)

Guidance literature:

With potassium carbonate; In methanol; acetonitrile; at 40 ℃; for 72h;

DOI:10.1021/ja300416f

Reference yield: 98.0%

1-methyl-1H-1,2,4-triazole (6086-21-1) + methyl iodide (74-88-4) → 1,4-dimethyl-1,2,4-triazolium iodide (120317-69-3)

Guidance literature:

for 2h; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejic.201800225

Reference yield: 85.0%

4-methyl-4H-[1,2,4]triazole (10570-40-8) + methyl iodide (74-88-4) → 1,4-dimethyl-1,2,4-triazolium iodide (120317-69-3)

Guidance literature:

In methanol; at 100 ℃; for 1h;

DOI:10.5560/ZNB.2014-4145

upstream raw materials:

1-methyl-1H-1,2,4-triazole

methyl iodide

4-methyl-4H-[1,2,4]triazole

1,2,4-Triazole

Refernces

• 1、 Gothe, Yvonne,Romero-Canelón, Isolda,Marzo, Tiziano,Sadler, Peter J.,Messori, Luigi,Metzler-Nolte, Nils. "Synthesis and Mode of Action Studies on Iridium(I)–NHC Anticancer Drug Candidates". . p. 2461 - 2470. Retrieved 2018.
• 2、 Astakhov, Alexander V.,Khazipov, Oleg V.,Degtyareva, Evgeniya S.,Khrustalev, Victor N.,Chernyshev, Victor M.,Ananikov, Valentine P.. "Facile Hydrolysis of Nickel(II) Complexes with N-Heterocyclic Carbene Ligands". . p. 5759 - 5766. Retrieved 2016/01/12.