1H-Imidazole, 5-((4-iodophenyl)sulfonyl)-1-methyl-4-nitro-

Base Information

• Chemical Name: 1H-Imidazole, 5-((4-iodophenyl)sulfonyl)-1-methyl-4-nitro-
• CAS No.: 131134-90-2
• Molecular Formula: C₁₀H₈IN₃O₄S
• Molecular Weight: 393.162
• DSSTox Substance ID: DTXSID40927085
• Wikidata: Q82901705
• Mol file: 131134-90-2.mol

Synonyms:1-methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone;MNIIPS

Chemical Property of 1H-Imidazole, 5-((4-iodophenyl)sulfonyl)-1-methyl-4-nitro-

Chemical Property:

• Vapor Pressure: 7.32E-14mmHg at 25°C
• Boiling Point: 603.2°Cat760mmHg
• Flash Point: 318.6°C
• PSA: 191.52000
• Density: 2.02g/cm³
• LogP: 5.61480
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 392.92802
• Heavy Atom Count: 19
• Complexity: 439

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC(=C1S(=O)(=O)C2=CC=C(C=C2)I)[N+](=O)[O-]

Technology Process of 1H-Imidazole, 5-((4-iodophenyl)sulfonyl)-1-methyl-4-nitro-

There total 2 articles about 1H-Imidazole, 5-((4-iodophenyl)sulfonyl)-1-methyl-4-nitro- 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: 24.0%

5-chloro-1-methyl-4-nitroimidazole (4897-25-0) + 4-iodobenzenesulfinic acid → 1-methyl-4-nitro-5-imidazolyl 4-iodophenyl sulfone (131134-90-2)

Guidance literature:

With sodium hydroxide; In ethanol; for 1h; Heating;

DOI:10.1002/jps.2600791003

Reference yield:

p-Iodobenzenesulfonyl chloride (98-61-3) → 1-methyl-4-nitro-5-imidazolyl 4-iodophenyl sulfone (131134-90-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / sodium bisulfite / ethanol; H₂O / 2 h / Ambient temperature

2: 24 percent / 6 M aq. NaOH / ethanol / 1 h / Heating

With sodium hydroxide; sodium hydrogensulfite; In ethanol; water;

DOI:10.1002/jps.2600791003

Reference yield:

glutathion (70-18-8) + 1-methyl-4-nitro-5-imidazolyl 4-iodophenyl sulfone (131134-90-2) → 4-iodobenzenesulfinic acid + N-[N-L-γ-glutamyl-S-(3-methyl-5-nitro-3H-imidazol-4-yl)-L-cysteinyl]-glycine (36892-55-4)

Guidance literature:

at 37 ℃; Rate constant; also in the presence of var. liposomes;

DOI:10.1002/jps.2600791003

upstream raw materials:

5-chloro-1-methyl-4-nitroimidazole

p-Iodobenzenesulfonyl chloride

Downstream raw materials:

N-[N-L-γ-glutamyl-S-(3-methyl-5-nitro-3H-imidazol-4-yl)-L-cysteinyl]-glycine

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