3-(4-Aminophenyl)sulfonylaniline

Base Information

• Chemical Name: 3-(4-Aminophenyl)sulfonylaniline
• CAS No.: 34262-32-3
• Molecular Formula: C₁₂H₁₂N₂O₂S
• Molecular Weight: 248.305
• DSSTox Substance ID: DTXSID70876754
• Nikkaji Number: J88.924E
• Wikidata: Q82858431
• ChEMBL ID: CHEMBL140628
• Mol file: 34262-32-3.mol

Synonyms:34262-32-3;3-(4-aminophenyl)sulfonylaniline;3-[(4-aminophenyl)sulfonyl]aniline;3-((4-Aminophenyl)sulfonyl)benzenamide;Benzenamine, 3-[(4-aminophenyl)sulfonyl]-;m,p'-Sulfonyldianiline;Benzenamide, 3-((4-aminophenyl)sulfonyl)-;3,4'-Diaminodiphenylsulfone;SCHEMBL34500;MLS000090050;CHEMBL140628;3-(4-aminophenylsulfonyl)aniline;DTXSID70876754;ZMPZWXKBGSQATE-UHFFFAOYSA-N;HMS2475J15;AKOS003272980;3-[(4-Aminophenyl)sulfonyl]phenylamine;Benzenamine, 3-(4-aminophenylsulfonyl)-;SMR000024668;EU-0078076;SR-01000110622;SR-01000110622-1

Chemical Property of 3-(4-Aminophenyl)sulfonylaniline

Chemical Property:

• Vapor Pressure: 3.38E-11mmHg at 25°C
• Boiling Point: 527°Cat760mmHg
• Flash Point: 272.5°C
• PSA: 94.56000
• Density: 1.361g/cm³
• LogP: 3.92700
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 248.06194880
• Heavy Atom Count: 17
• Complexity: 342

Purity/Quality:

99% ^*data from raw suppliers

3-[(4-Aminophenyl)sulfonyl]benzenamine ^*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)C2=CC=C(C=C2)N)N
• Uses: 3-[(4-Aminophenyl)sulfonyl]benzenamine is an impurity of Dapsone (D193250), an antibacterial used in the treatment of dermatitis herpetiformis.

Technology Process of 3-(4-Aminophenyl)sulfonylaniline

There total 8 articles about 3-(4-Aminophenyl)sulfonylaniline 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:

3,4'-dinitrophenyl sulfone (34418-85-4) → (3-aminophenyl)(4-aminophenyl)-sulfone (34262-32-3)

Guidance literature:

With ethanol; nickel; Hydrogenation;

Reference yield:

3-nitrothiophenol (3814-18-4) → (3-aminophenyl)(4-aminophenyl)-sulfone (34262-32-3)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium ethylate; ethanol

2: K₂cr2O₇; aqueous H₂SO₄; glacial acetic acid

3: Raney nickel; ethanol / Hydrogenation

With potassium dichromate; ethanol; sulfuric acid; sodium ethanolate; nickel; acetic acid;

Reference yield:

4-nitrophenyl phenyl sulfone (1146-39-0) → (3-aminophenyl)(4-aminophenyl)-sulfone (34262-32-3)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated sulfuric acid; fuming nitric acid

2: Raney nickel; ethanol / Hydrogenation

With ethanol; sulfuric acid; nitric acid; nickel;

upstream raw materials:

3,4'-dinitrophenyl sulfone

3-nitrothiophenol

4-nitrophenyl phenyl sulfone

3-nitrophenyl 4′-nitrophenyl sulfide