2-[(4-Aminophenyl)sulfonyl]ethyl hydrogen sulfate

Base Information

• Chemical Name: 2-[(4-Aminophenyl)sulfonyl]ethyl hydrogen sulfate
• CAS No.: 2494-89-5
• Molecular Formula: C8H11NO6S2
• Molecular Weight: 281.31
• Hs Code.: 2922199090
• European Community (EC) Number: 219-669-7
• UNII: 5R04R0T8IA
• DSSTox Substance ID: DTXSID0027484
• Nikkaji Number: J33.676I
• Wikidata: Q27262761
• Mol file: 2494-89-5.mol

Synonyms:4-((2-sulfatoethyl)sulfonyl)aniline;p-(beta-sulphato-ethyl-sulfonyl)aniline;p-SESA

Chemical Property of 2-[(4-Aminophenyl)sulfonyl]ethyl hydrogen sulfate

Chemical Property:

• Refractive Index: 1.608
• PKA: -3.88±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: 424

Purity/Quality:

98% ^*data from raw suppliers

2-Sulfanilylethanol Hydrogen Sulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)S(=O)(=O)CCOS(=O)(=O)O
• Uses: 4-(Ethylsulfurate Sulfonyl)aniline is a disperse dye.

Technology Process of 2-[(4-Aminophenyl)sulfonyl]ethyl hydrogen sulfate

There total 10 articles about 2-[(4-Aminophenyl)sulfonyl]ethyl hydrogen sulfate 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: 99.7%

oxirane (75-21-8,99932-75-9) + p-acetylaminobenzenesulfonyl chloride (121-60-8) → 2-(p-aminophenylsulfonyl)ethyl hydrogen sulfate (2494-89-5)

Guidance literature:

p-acetylaminobenzenesulfonyl chloride; With sodium metabisulfite; sodium hydroxide; at 30 ℃; pH=7 - 7.5;

oxirane; at 40 ℃; pH=7.5 - 8;

With sulfuric acid; at 150 - 160 ℃; under 3750.38 Torr;

Reference yield: 98.0%

4-(2'-Hydroxyethylsulphonyl)aniline (5246-58-2) → 2-(p-aminophenylsulfonyl)ethyl hydrogen sulfate (2494-89-5)

Guidance literature:

With sulfuric acid; at 160 ℃; for 2.5h; under 525.053 Torr; Pressure; Temperature;

Reference yield: 96.0%

acetic acid-[4-(2-hydroxy-ethanesulfonyl)-anilide] (27375-52-6) → 2-(p-aminophenylsulfonyl)ethyl hydrogen sulfate (2494-89-5)

Guidance literature:

With sulfuric acid;

upstream raw materials:

acetic acid-[4-(2-hydroxy-ethanesulfonyl)-anilide]

oxirane

N-(4-chlorophenyl)acetamide

2-(p-nitrophenylthio)ethanol

Downstream raw materials:

C₈H₉N₂O₆S₂⁽¹⁺⁾

C₁₁H₁₀Cl₂N₄O₆S₂

C₁₇H₁₇ClN₆O₉S₃

Refernces

• 1、 -. "Method for preparing p-aminophenyl-beta-hydroxyethyl sulfone sulfate". Paragraph 0009; 0010; 0011. . Retrieved 2018/04/03.
• 2、 -. "Preparation method of para-ester". Paragraph 0050-0055. . Retrieved 2018/04/01.