1H-Imidazole, 4-(methylsulfonyl)-5-nitro-

Base Information

• Chemical Name: 1H-Imidazole, 4-(methylsulfonyl)-5-nitro-
• CAS No.: 110299-87-1
• Molecular Formula: C₄H₅N₃O₄S
• Molecular Weight: 191.167
• Mol file: 110299-87-1.mol

Synonyms:5-methylsulfonyl-4-nitroimidazole;4-methanesulfonyl-5-nitro-1(3)H-imidazole;4-(methylsulfonyl)-5-nitro-1H-imidazole;1H-Imidazole, 4-(methylsulfonyl)-5-nitro-;Imidazole,5-(methylsulfonyl)-4-nitro;4(5)-(methylsulfonyl)-5(4)-nitro-1H-imidazole;1H-Imidazole,4-(methylsulfonyl)-5-nitro;4-Methansulfonyl-5-nitro-1(3)H-imidazol;

Chemical Property of 1H-Imidazole, 4-(methylsulfonyl)-5-nitro-

Chemical Property:

• Melting Point: 276-277 °C(Solv: water (7732-18-5))
• Boiling Point: 612.4±55.0 °C(Predicted)
• PSA: 117.02000
• Density: 1.668±0.06 g/cm3(Predicted)
• LogP: 1.32540

Purity/Quality:

5-(methylsulfonyl)-4-nitro-1H-Imidazole 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Imidazole, 4-(methylsulfonyl)-5-nitro-

There total 1 articles about 1H-Imidazole, 4-(methylsulfonyl)-5-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: 83.0%

4(5)-methylthio-5(4)-nitroimidazole (113121-55-4) → 5-methylsulfonyl-4-nitroimidazole (110299-87-1)

Guidance literature:

With dihydrogen peroxide; In acetic acid;

DOI:10.1071/CH9871415

Reference yield:

1-O-acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose (6974-32-9) + 5-methylsulfonyl-4-nitroimidazole (110299-87-1) → 5-methylsulfonyl-4-nitro-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)imidazole (179999-04-3) + 5-methylsulfonyl-4-nitro-1-(2,3,5-tri-O-benzoyl-α-D-ribofuranosyl)imidazole

Guidance literature:

With chloro-trimethyl-silane; trimethylsilyl trifluoromethanesulfonate; 1,1,1,3,3,3-hexamethyl-disilazane; Multistep reaction; 1.) xylene, reflux, 2.) xylene, MeCN, 0 deg C to r.t., 16 h;

DOI:10.1016/0040-4039(94)85344-4

Reference yield:

1-O-acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose (6974-32-9) + 5-methylsulfonyl-4-nitroimidazole (110299-87-1) → 5-methylsulfonyl-4-nitro-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)imidazole (179999-04-3)

Guidance literature:

With chloro-trimethyl-silane; trimethylsilyl trifluoromethanesulfonate; 1,1,1,3,3,3-hexamethyl-disilazane; Yield given. Multistep reaction; 1.) xylene, 130 deg C, 2 h, 2.) acetonitrile, 0 deg C, 3 min;

DOI:10.1016/0040-4020(96)00472-3

upstream raw materials:

4⁽⁵⁾-methylthio-5⁽⁴⁾-nitroimidazole

Downstream raw materials:

5-methylsulfonyl-4-nitro-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)imidazole

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