5-iodo-2-methyl-1H-imidazole

Base Information

• Chemical Name: 5-iodo-2-methyl-1H-imidazole
• CAS No.: 73746-45-9
• Molecular Formula: C4H5IN2
• Molecular Weight: 208.002
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID40383268
• Nikkaji Number: J304.597H
• Wikidata: Q72483942
• Mol file: 73746-45-9.mol

Synonyms:5-iodo-2-methyl-1H-imidazole;73746-45-9;4-IODO-2-METHYL-1H-IMIDAZOLE;2-Methyl-4(5)-iodo-1(H)-imidazole;4-iodo-2-methylimidazole;1H-Imidazole, 4-iodo-2-methyl-;MFCD02684335;2-methyl-4-iodo-1H-imidazole;2-Methyl-4- Jodimidazol;SCHEMBL102334;1-(3-Chloropropyl)piperidineHCl;DTXSID40383268;SEDSLMWYUQACGR-UHFFFAOYSA-N;BCP32409;CS-D0992;AKOS015914916;AKOS015919876;AC-26471;AM807433;BP-10462;DS-11655;SY020522;5-Iodo-2-methyl-1H-imidazole, AldrichCPR;FT-0618766;EN300-205134;A837915;5-Iodo-2-methyl-1H-imidazole;4-Iodo-2-methylimidazole

Chemical Property of 5-iodo-2-methyl-1H-imidazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 133 °C
• Refractive Index: 1.656
• Boiling Point: 358.154 °C at 760 mmHg
• PKA: 12.30±0.10(Predicted)
• Flash Point: 170.406 °C
• PSA: 28.68000
• Density: 2.094 g/cm³
• LogP: 1.32270
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• 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-2-methyl-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(N1)I

Technology Process of 5-iodo-2-methyl-1H-imidazole

There total 6 articles about 5-iodo-2-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: 91.0%

2-methylimidazole (693-98-1) → 4(5)-iodo-2-methyl-1H-imidazole (73746-45-9)

Guidance literature:

2-methylimidazole; With potassium iodide; sodium hydroxide; In water; at 20 ℃; for 16h; Inert atmosphere;

With acetic acid; In water; at 20 ℃; Inert atmosphere;

With sodium sulfite; In methanol; ethanol; for 36h; Inert atmosphere; Reflux;

DOI:10.1021/acs.jmedchem.5b01390

Reference yield: 66.0%

4,5-diiodo-2-methyl-1H-imidazole (73746-44-8) → 4-iodo-2-methyl-1H-imidazole (73746-45-9)

Guidance literature:

With sodium sulfite; In ethanol; water; at 100 ℃; for 24h;

Reference yield:

2-methylimidazole (693-98-1) → 4,5-diiodo-2-methyl-1H-imidazole (73746-44-8) + 4-iodo-2-methyl-1H-imidazole (73746-45-9)

Guidance literature:

With sodium nitrate; perchloric acid; triiodide^(1-); iodide; In water; at 30 ℃; for 48h; Kinetics; Mechanism; buffer and hydrogen ion dependence;

DOI:10.1021/jo01303a035

upstream raw materials:

4,5-diiodo-2-methyl-1H-imidazole

2-methylimidazole

n-butyllithium

Downstream raw materials:

1-benzyl-4-iodo-2-methyl-1H-imidazole

4-(3-chloro-phenylethynyl)-2-methyl-1H-imidazole

2-methyl-4-phenyl-1H-imidazole

4-iodo-2-methyl-1-triphenylmethylimidazole