2-((3-Aminophenyl)sulphonyl) hydrogensulphate

Base Information

• Chemical Name: 2-((3-Aminophenyl)sulphonyl) hydrogensulphate
• CAS No.: 2494-88-4
• Molecular Formula: C8H11NO6S2
• Molecular Weight: 281.31
• Hs Code.: 2922199090
• European Community (EC) Number: 219-668-1
• UNII: QSF937M69H
• DSSTox Substance ID: DTXSID90179658
• Nikkaji Number: J33.665C
• Wikidata: Q83050186
• Mol file: 2494-88-4.mol

Synonyms:2494-88-4;2-((3-Aminophenyl)sulphonyl) hydrogensulphate;2-(3-aminophenyl)sulfonylethyl hydrogen sulfate;EINECS 219-668-1;QSF937M69H;EC 219-668-1;Ethanol, 2-[(3-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate);2-[(3-aminophenyl)sulphonyl] hydrogensulphate;UNII-QSF937M69H;SCHEMBL1357506;DTXSID90179658;AKOS015889483;2-[(3-aminophenyl)sulphonyl]hydrogensulphate;[2-(3-aminobenzenesulfonyl)ethoxy]sulfonic acid;Sulfuric acid 2-(3-aminophenylsulfonyl)ethyl ester;2-((3-AMINOPHENYL)SULPHONYL) HYDROGENSULFATE;2-[(3-Aminophenyl)sulfonyl]ethanol,hydrogen sulfate ester;Ethanol, 2-((3-aminophenyl)sulfonyl)-, hydrogen sulfate (ester)

Chemical Property of 2-((3-Aminophenyl)sulphonyl) hydrogensulphate

Chemical Property:

• Vapor Pressure: 0-0Pa at 25℃
• Refractive Index: 1.608
• PKA: -3.89±0.18(Predicted)
• PSA: 140.52000
• Density: 1.608 g/cm³
• LogP: 2.60470
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 281.00277942
• Heavy Atom Count: 17
• Complexity: 432

Purity/Quality:

99.9% ^*data from raw suppliers

2-(3-AMINOPHENYL)SULFONYLETHYL HYDROGEN SULFATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)N

Technology Process of 2-((3-Aminophenyl)sulphonyl) hydrogensulphate

There total 5 articles about 2-((3-Aminophenyl)sulphonyl) hydrogensulphate 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:

3-aminophenyl 2-hydroxy-ethyl sulphone (5246-57-1) → 1-aminobenzene-3-β-sulfatoethylsulfone (2494-88-4)

Guidance literature:

With sulfuric acid;

Reference yield:

3-nitrobenzenesulfinic acid (13257-95-9) → 1-aminobenzene-3-β-sulfatoethylsulfone (2494-88-4)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium phosphate / 6 h / 70 - 75 °C / pH 7 - 7.5 / Inert atmosphere

2: tin(ll) chloride; palladium on activated charcoal; acetic acid / water / 7 h / 95 °C

3: sulfuric acid

With sulfuric acid; palladium on activated charcoal; acetic acid; sodium phosphate; tin(ll) chloride; In water;

Reference yield:

3-nitrobenzenesulphonyl chloride (121-51-7) → 1-aminobenzene-3-β-sulfatoethylsulfone (2494-88-4)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium metabisulfite; sodium hydroxide / water / 1 h / 25 °C / pH 7.4 - 7.7

2: sodium phosphate / 6 h / 70 - 75 °C / pH 7 - 7.5 / Inert atmosphere

3: tin(ll) chloride; palladium on activated charcoal; acetic acid / water / 7 h / 95 °C

4: sulfuric acid

With sodium metabisulfite; sulfuric acid; palladium on activated charcoal; acetic acid; sodium phosphate; tin(ll) chloride; sodium hydroxide; In water;

upstream raw materials:

3-aminophenyl 2-hydroxy-ethyl sulphone

3-nitrobenzenesulfinic acid

3-nitrobenzenesulphonyl chloride

nitrobenzene

Refernces

• 1、 -. "Reactive polysaccharide derivatives, their preparation and their use". . . Retrieved 2008/06/13.
• 2、 -. "Asymmetric dioxazine compounds and method for dyeing or printing fiber materials using the same". . . Retrieved 2008/06/13.