2,2,2-trichloroethyl 1H-imidazole-2-sulfonate

Base Information

• Chemical Name: 2,2,2-trichloroethyl 1H-imidazole-2-sulfonate
• CAS No.: 903587-98-4
• Molecular Formula: C₅H₅Cl₃N₂O₃S
• Molecular Weight: 279.531
• DSSTox Substance ID: DTXSID60693114
• Wikidata: Q82622137
• Mol file: 903587-98-4.mol

Synonyms:903587-98-4;2,2,2-trichloroethyl 1H-imidazole-2-sulfonate;2,2,2-TRICHLOROETHOXYSULFURYL IMIDAZOLE;starbld0006454;DTXSID60693114;FT-0675444

Chemical Property of 2,2,2-trichloroethyl 1H-imidazole-2-sulfonate

Chemical Property:

• Vapor Pressure: 1.02E-05mmHg at 25°C
• Refractive Index: 1.609
• Boiling Point: 371.6°C at 760 mmHg
• Flash Point: 178.5°C
• PSA: 80.43000
• Density: 1.74g/cm³
• LogP: 2.56600
• Solubility.: Ethyl ACetate, Tetrahydrofuran
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 277.908646
• Heavy Atom Count: 14
• Complexity: 284

Purity/Quality:

97% ^*data from raw suppliers

2,2,2-Trichloroethoxysulfuryl imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(N1)S(=O)(=O)OCC(Cl)(Cl)Cl
• Uses: 2,2,2-Trichloroethoxysulfuryl Imidazole (cas# 903587-98-4) is an intermediate in the synthesis of Ractopamine-10’-sulfate (R017500), a metabolite of Ractopamine (R071400) which is a β-adrenergic agonist and a repartitioning agent.

Technology Process of 2,2,2-trichloroethyl 1H-imidazole-2-sulfonate

There total 1 articles about 2,2,2-trichloroethyl 1H-imidazole-2-sulfonate 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: 86.0%

1H-imidazole (288-32-4) + chlorosulfuric acid 2,2,2-trichloroethyl ester (764-09-0) → 1-(2,2,2-trichloroethoxysulfuryl)-imidazole (903587-98-4)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 2h;

DOI:10.1002/anie.200600153

upstream raw materials:

1H-imidazole

chlorosulfuric acid 2,2,2-trichloroethyl ester

Refernces