5-IODO-1-METHYL-1H-IMIDAZOLE

Base Information

• Chemical Name: 5-IODO-1-METHYL-1H-IMIDAZOLE
• CAS No.: 71759-88-1
• Molecular Formula: C4H5IN2
• Molecular Weight: 208.002
• Hs Code.: 2933290090
• European Community (EC) Number: 635-333-6
• DSSTox Substance ID: DTXSID00361582
• Nikkaji Number: J465.887F
• Wikidata: Q82143945
• Mol file: 71759-88-1.mol

Synonyms:1-Methyl-5-iodoimidazole;5-Iodo-1-methyl-1H-imidazole;5-Iodo-1-methylimidazole;

Chemical Property of 5-IODO-1-METHYL-1H-IMIDAZOLE

Chemical Property:

• Appearance/Colour: WHITE TO TAN POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS
• Melting Point: 103-104°C
• Boiling Point: 299 °C at 760 mmHg
• PKA: 5.33±0.10(Predicted)
• Flash Point: 134.6 °C
• PSA: 17.82000
• Density: 2.07 g/cm³
• LogP: 1.02470
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Light Sensitive
• 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:

97% ^*data from raw suppliers

5-Iodo-1-methyl-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1C=NC=C1I

Technology Process of 5-IODO-1-METHYL-1H-IMIDAZOLE

There total 10 articles about 5-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: 99.0%

trimethoxonium tetrafluoroborate (420-37-1) + 4-iodo-1-p-toluenesulfonylimidazole → 5-iodo-1N-methyl imidazole (71759-88-1)

Guidance literature:

In dichloromethane; at 20 ℃; for 24h;

DOI:10.1139/v01-092

Reference yield: 90.0%

2,5-diiodo-1-methyl-1H-imidazole (86026-81-5) → 5-iodo-1N-methyl imidazole (71759-88-1)

Guidance literature:

With n-butyllithium; In diethyl ether; at -70 ℃;

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:

1-methyl-1H-imidazole

2,5-diiodo-1-methyl-1H-imidazole

dimethyl sulfate

5-iodo-1H-imidazole

Downstream raw materials:

1-methyl-5-phenylethynyl-1H-imidazole

(E)-1-methyl -5-styryl-1H-imidazole

1-methylimidazole-5-carbaldehyde

(R)-3-ethyl-4-(1'-methyl-5'-imidazolylcarbonyl)-2-oxazolidinone