4-Iodo-1-methyl-1H-imidazole

Base Information

• Chemical Name: 4-Iodo-1-methyl-1H-imidazole
• CAS No.: 71759-87-0
• Molecular Formula: C4H5IN2
• Molecular Weight: 208.002
• Hs Code.: 2933290090
• European Community (EC) Number: 690-997-4
• DSSTox Substance ID: DTXSID80378476
• Nikkaji Number: J465.888D
• Wikidata: Q72483939
• Mol file: 71759-87-0.mol

Synonyms:1-Methyl-4-iodoimidazole;4-Iodo-1-methylimidazole;

Chemical Property of 4-Iodo-1-methyl-1H-imidazole

Chemical Property:

• Vapor Pressure: 0.000198mmHg at 25°C
• Melting Point: 51-54 °C
• Boiling Point: 299 °C at 760 mmHg
• PKA: 4.46±0.61(Predicted)
• Flash Point: 134.6 °C
• PSA: 17.82000
• Density: 2.07 g/cm³
• LogP: 1.02470
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: Dichlomethane (Slightly), Methanol (Slightly)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 207.94975
• Heavy Atom Count: 7
• Complexity: 66.7

Purity/Quality:

99% ^*data from raw suppliers

4-Iodo-1-methylimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(N=C1)I
• Uses: 4-Iodo-1-methylimidazole is a chemical reagent used in the synthesis of PET (positron emission tomography) tracers for imaging brain enzymes.

Technology Process of 4-Iodo-1-methyl-1H-imidazole

There total 7 articles about 4-Iodo-1-methyl-1H-imidazole 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: 95.0%

diiodo-1-methylimidazole → 4-iodo-1-methyl-1H-imidazole (71759-87-0)

Guidance literature:

diiodo-1-methylimidazole; With ethylmagnesium bromide; In dichloromethane;

With water;

DOI:10.1016/j.tetlet.2009.06.088

Reference yield: 94.0%

4,5-diiodo-1-methyl-1H-imidazole (37067-96-2) → 4-iodo-1-methyl-1H-imidazole (71759-87-0)

Guidance literature:

With ethylmagnesium bromide; In diethyl ether; dichloromethane; at 20 ℃; for 0.333333h;

DOI:10.1016/j.bmc.2017.01.024

Reference yield: 67.0%

dimethyl sulfate (77-78-1) + 5-iodo-1H-imidazole (71759-89-2) → 4-iodo-1-methyl-1H-imidazole (71759-87-0) + 5-iodo-1N-methyl imidazole (71759-88-1)

Guidance literature:

upstream raw materials:

4,5-diiodo-1-methyl-1H-imidazole

dimethyl sulfate

5-iodo-1H-imidazole

prenyl bromide

Downstream raw materials:

1-methyl-4-phenylethynyl-1H-imidazole

Refernces

• 1、 Miura, Youhei,Kobayashi, Kotaro,Yoshioka, Naoki. "V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism". . p. 898 - 905. Retrieved 2021.
• 2、 Koswatta, Panduka B.,Kasiri, Sabha,Das, Jayanta K.,Bhan, Arunoday,Lima, Heather M.,Garcia-Barboza, Beatriz,Khatibi, Nicole N.,Yousufuddin, Muhammed,Mandal, Subhrangsu S.,Lovely, Carl J.. "Total synthesis and cytotoxicity of Leucetta alkaloids". . p. 1608 - 1621. Retrieved 2017/02/26.