3-Methyl-1-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate

Base Information

• Chemical Name: 3-Methyl-1-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate
• CAS No.: 827320-59-2
• Molecular Formula: C8H15N2O3S.HO4S
• Molecular Weight: 316.356
• Hs Code.: 2933290090
• European Community (EC) Number: 835-409-0
• Mol file: 827320-59-2.mol

Synonyms:827320-59-2;3-Methyl-1-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate;1-butylsulfonic-3-methylimidazolium hydrogensulfate;MFCD12761445;hydrogen sulfate;4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid;3-methyl-1-(4-sulfobutyl)-1H-imidazol-3-ium hydrogen sulfate;1-propylsulfonic-3-methylimidazolium hydrogensulfate;AKOS016845748;AS-75505;SY113797;M3120;D91613;1-butylsulfonic-3-methylimidazoliumhydrogensulfate;1-(4-sulfobutyl)-3-methylimidazolium hydrogensulfate;1-methyl-3-(4-sulfobutyl) imidazolium hydrogen sulfate;1-Methyl-3-(4-sulfobutyl)-1H-imidazol-3-ium Hydrogensulfate

Chemical Property of 3-Methyl-1-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate

Chemical Property:

• Melting Point: 124-125 °C
• Refractive Index: 1.50
• PSA: 175.09000
• LogP: 0.71130
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 316.03989320
• Heavy Atom Count: 19
• Complexity: 336

Purity/Quality:

99.3% ^*data from raw suppliers

1-Methyl-3-(4-sulfobutyl)imidazolium Hydrogen Sulfate >95.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=CN(C=C1)CCCCS(=O)(=O)O.OS(=O)(=O)[O-]
• Uses: 1-(4-Sulfobutyl)-3-methylimidazolium Sulfate can be used to prepare sulfurized fatty acid from kitchen waste oil.

Technology Process of 3-Methyl-1-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate

There total 6 articles about 3-Methyl-1-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate 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: 100.0%

4-(3-methylimidazolium)butanesulfonate (179863-07-1) → 1-methyl-3-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate (827320-59-2)

Guidance literature:

With sulfuric acid; at 80 ℃; for 6h;

Reference yield: 100.0%

4-(3-methylimidazolium)butanesulfonate (179863-07-1) + sulfuric acid (7664-93-9) → 1-methyl-3-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate (827320-59-2)

Guidance literature:

In toluene; at 80 ℃; for 24h;

DOI:10.1039/c5ob01953b

Reference yield: 90.0%

1-methyl-1H-imidazole (616-47-7) + 1,4-butane sultone (1633-83-6) → 1-methyl-3-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate (827320-59-2)

Guidance literature:

1-methyl-1H-imidazole; 1,4-butane sultone; at 80 ℃; for 12h;

With sulfuric acid; at 60 ℃; for 6h;

DOI:10.1039/c3ra45921g

upstream raw materials:

4-(3-methylimidazolium)butanesulfonate

1-methyl-1H-imidazole

1,4-butane sultone

1,3,2-dioxathiepane 2,2-dioxide

Downstream raw materials:

1-[(4-chlorosulfonyl)butyl]-3-methylimidazolium chlorosulfate

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