1,2-dimethyl-1H-imidazole-4-sulfonyl chloride

Base Information

• Chemical Name: 1,2-dimethyl-1H-imidazole-4-sulfonyl chloride
• CAS No.: 137049-02-6
• Molecular Formula: C5H7ClN2O2S
• Molecular Weight: 194.642
• Hs Code.: 2933290090
• European Community (EC) Number: 655-195-0
• DSSTox Substance ID: DTXSID70371234
• Nikkaji Number: J938.929F
• Wikidata: Q82158511
• Mol file: 137049-02-6.mol

Synonyms:1,2-dimethylimidazole-4-sulfonyl chloride

Chemical Property of 1,2-dimethyl-1H-imidazole-4-sulfonyl chloride

Chemical Property:

• Vapor Pressure: 5.59E-05mmHg at 25°C
• Melting Point: 91 °C
• Refractive Index: 1.605
• Boiling Point: 357.5 °C at 760 mmHg
• PKA: 1.18±0.70(Predicted)
• Flash Point: 170 °C
• PSA: 60.34000
• Density: 1.52 g/cm³
• LogP: 1.73680
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 193.9916763
• Heavy Atom Count: 11
• Complexity: 235

Purity/Quality:

98%min ^*data from raw suppliers

1,2-Dimethyl-1H-imidazole-4-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; C
• Hazard Codes: Xi,C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CN1C)S(=O)(=O)Cl

Technology Process of 1,2-dimethyl-1H-imidazole-4-sulfonyl chloride

There total 1 articles about 1,2-dimethyl-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: 30.0%

1,2-dimethyl-1H-imidazole (1739-84-0) → 1,2-dimethylimidazole-4-sulphonyl chloride (137049-02-6)

Guidance literature:

Reference yield: 96.0%

1-(2-nitro-4-(trifluoromethyl)phenyl)piperazine (58315-38-1) + 1,2-dimethylimidazole-4-sulphonyl chloride (137049-02-6) → 1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-4-(2-nitro-4-(trifluoromethyl)phenyl)piperazine

Guidance literature:

With diethylaminomethylpolystyrene; In dichloromethane;

DOI:10.1039/b503778f

Reference yield: 79.0%

{2-[3'-(2-fluoro-phenyl)-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-yl]-ethyl}-methyl-amine (1123302-03-3) + 1,2-dimethylimidazole-4-sulphonyl chloride (137049-02-6) → 1,2-dimethyl-1H-imidazole-4-sulfonic acid {2-[3'-(2-fluoro-phenyl)-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-yl]-ethyl}-methyl-amide (1123301-43-8)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 72h;

upstream raw materials:

1,2-dimethyl-1H-imidazole

Downstream raw materials:

1,2-dimethyl-1H-imidazole-4-thiol

(R)-2-{(3S,5R)-3-(3-chloro-phenyl)-4-[2-(1,2-dimethyl-1H-imidazole-4-sulfonylamino)-acetyl]-5-methyl-2-oxo-[1,4]diazepan-1-yl}-3-naphthalen-1-yl-propionamide

1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-methyl-5-phenyl-1H-pyrrole-3-carbaldehyde

Refernces

• 1、 Shafiee,Rastkary,Foroumadi. "Syntheses of 2-(2-arylethyl)imidazoles". . p. 607 - 610. Retrieved 2007/10/03.