1,2-Dimethyl-1H-imidazole-5-sulphonyl chloride

Base Information

• Chemical Name: 1,2-Dimethyl-1H-imidazole-5-sulphonyl chloride
• CAS No.: 849351-92-4
• Molecular Formula: C5H7ClN2O2S
• Molecular Weight: 194.642
• Hs Code.: 2933290090
• European Community (EC) Number: 857-167-5
• Nikkaji Number: J938.931H
• Mol file: 849351-92-4.mol

Synonyms:849351-92-4;1,2-Dimethyl-1H-imidazole-5-sulphonyl chloride;2,3-dimethylimidazole-4-sulfonyl Chloride;1,2-dimethyl-1H-imidazole-5-sulfonyl chloride;1,2-dimethylimidazole-5-sulfonyl chloride;SCHEMBL1772353;HAULHCBIEFNHJS-UHFFFAOYSA-N;MFCD03094627;AKOS006223181;AT12184;PS-10911;1,2-Dimethylimidazole-5-sulphonyl chloride;CS-0456240;EN300-78507;1,2-Dimethyl-1H-imidazole-5-sulphonylchloride;1,2-Dimethyl-1H-imidazole-5-sulfonic acid chloride;F9995-2648;1,2-dimethyl-1H-imidazole-5-sulphonyl chloride, AldrichCPR

Chemical Property of 1,2-Dimethyl-1H-imidazole-5-sulphonyl chloride

Chemical Property:

• Boiling Point: 357.5±15.0 °C(Predicted)
• PKA: 1.21±0.43(Predicted)
• PSA: 60.34000
• Density: 1.52±0.1 g/cm3(Predicted)
• LogP: 1.73680
• 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% ^*data from raw suppliers

1,2-Dimethyl-1H-imidazole-5-sulphonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(N1C)S(=O)(=O)Cl

Technology Process of 1,2-Dimethyl-1H-imidazole-5-sulphonyl chloride

There total 1 articles about 1,2-Dimethyl-1H-imidazole-5-sulphonyl 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: 32.0%

dimethyl sulfate (77-78-1) + 2-methyl-4(5)-chlorosulfonylimidazole (205311-54-2) → 1,2-dimethyl-1H-imidazole-5-sulfonyl chloride (849351-92-4)

Guidance literature:

With formic acid; at 45 ℃;

DOI:10.1002/jhet.5570350126

Reference yield: 91.0%

6-chloro-N-{3-[2-(4-chloro-3-fluorophenoxy)acetamido]bicyclo[1.1.1]pentan-1-yl}-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide + 1,2-dimethyl-1H-imidazole-5-sulfonyl chloride (849351-92-4) → 6-chloro-N-{3-[2-(4-chloro-3-fluorophenoxy)acetamido]bicyclo[1.1.1]pentan-1-yl}-4-(1,2-dimethyl-1H-imidazole-5-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

Guidance literature:

With pyridine; In dichloromethane; at 50 ℃;

Reference yield: 71.0%

{2-[3'-(4-fluoro-phenyl)-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-yl]-ethyl}-methyl-amine (1123302-01-1) + 1,2-dimethyl-1H-imidazole-5-sulfonyl chloride (849351-92-4) → 2,3-dimethyl-3H-imidazole-4-sulfonic acid {2-[3'-(4-fluoro-phenyl)-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-yl]-ethyl}-methyl-amide (1123301-41-6)

Guidance literature:

With morpholine, polymer-bound; In dichloromethane; at 20 ℃; for 72h;

upstream raw materials:

dimethyl sulfate

2-methyl-4⁽⁵⁾-chlorosulfonylimidazole

Downstream raw materials:

2,3-dimethyl-3H-imidazole-4-sulfonic acid {2-[3'-(4-fluoro-phenyl)-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-yl]-ethyl}-methyl-amide

C₃₈H₅₂F₂N₆O₇S

Refernces