1-methyl-1H-imidazole-4-sulfonyl chloride

Base Information

• Chemical Name: 1-methyl-1H-imidazole-4-sulfonyl chloride
• CAS No.: 137049-00-4
• Molecular Formula: C4H5ClN2O2S
• Molecular Weight: 180.615
• Hs Code.: 29332900
• European Community (EC) Number: 673-082-4
• DSSTox Substance ID: DTXSID30371679
• Wikidata: Q72491606
• Mol file: 137049-00-4.mol

Synonyms:1-methyl-1H-imidazole-4-sulfonyl chloride;137049-00-4;1-methylimidazole-4-sulfonyl Chloride;1h-imidazole-4-sulfonyl chloride, 1-methyl-;1-methyl-1h-imidazole-4-sulphonyl chloride;1-Methylimidazole-4-sulphonyl chloride;Testosteronephenylpropionate;SCHEMBL212457;DTXSID30371679;KXUGUWTUFUWYRS-UHFFFAOYSA-N;1-methylimidazol-4-sulfonylchloride;MFCD00068060;STL168025;1-methyl-4-imidazolesulfonyl chloride;N-methylimidazole-4-sulfonyl chloride;1-methylimidazol-4-ylsulfonyl chloride;AKOS000505669;AS-9621;(1-Methylimidazol-4-yl)sulfonyl chloride;1-methyl-1H-imidazole-4-sulfonylchloride;1methyl-1H-imidazole-4-sulfonyl chloride;BP-10989;4-(Chlorosulphonyl)-1-methyl-1H-imidazole;1-methyl -1H-imidazole-4-sulfonyl chloride;1-methyl-1 H-imidazole-4-sulfonyl chloride;CS-0074849;FT-0608035;(1-methyl-1H-imidazol-4-yl)sulfonyl chloride;EN300-60713;J-504865;1-Methyl-1H-imidazole-4-sulfonyl chloride, AldrichCPR;F2145-0932;Z954609098

Chemical Property of 1-methyl-1H-imidazole-4-sulfonyl chloride

Chemical Property:

• Vapor Pressure: 2.99E-05mmHg at 25°C
• Melting Point: 85-90°C
• Refractive Index: 1.621
• Boiling Point: 366.94 °C at 760 mmHg
• PKA: 0.18±0.70(Predicted)
• Flash Point: 175.719 °C
• PSA: 60.34000
• Density: 1.605 g/cm³
• LogP: 1.42840
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Sensitive.: Moisture Sensitive
• Solubility.: DMSO (Slightly)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 179.9760263
• Heavy Atom Count: 10
• Complexity: 210

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Methyl-1H-imidazole-4-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: Xi,C
• Statements: 34-29-14-36-20/21/22
• Safety Statements: 26-36/37/39-8-45-30-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(N=C1)S(=O)(=O)Cl

Technology Process of 1-methyl-1H-imidazole-4-sulfonyl chloride

There total 2 articles about 1-methyl-1H-imidazole-4-sulfonyl chloride 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:

1-methyl-1H-imidazole (616-47-7) + water-ice → 4(5)-imidazolesulfonic acid (60634-74-4) + 1-methyl-1H-imidazole-4-sulfonyl chloride (137049-00-4)

Guidance literature:

With thionyl chloride; chlorosulphuric acid; In dichloromethane;

Reference yield:

→ 1-methyl-1H-imidazole-4-sulfonyl chloride (137049-00-4)

Guidance literature:

Reference yield: 98.0%

(Z)-3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione trifluoroacetate (1438408-95-7) + 1-methyl-1H-imidazole-4-sulfonyl chloride (137049-00-4) → (Z)-N-(2-(5-(4-ethoxybenzylidene)-2,4-dioxothiazolidin-3-yl)ethyl)-1-methyl-1H-imidazole-4-sulfonamide (1438409-30-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃;

DOI:10.1039/c3ob40199e

upstream raw materials:

1-methyl-1H-imidazole

Refernces

• 1、 -. "Imidazole compounds, processes for their preparation, pharmaceuticals based on these compounds and some intermediates". . . Retrieved 2008/06/13.