Benzenesulfonic acid, 3-amino-4-[(4-methylphenyl)sulfonyl]-

Base Information

• Chemical Name: Benzenesulfonic acid, 3-amino-4-[(4-methylphenyl)sulfonyl]-
• CAS No.: 68227-75-8
• Molecular Formula: C13H13NO5S2
• Molecular Weight: 327.382
• European Community (EC) Number: 269-386-8
• DSSTox Substance ID: DTXSID6071297
• Nikkaji Number: J289.058E
• Wikidata: Q81998895
• Mol file: 68227-75-8.mol

Synonyms:68227-75-8;Benzenesulfonic acid, 3-amino-4-[(4-methylphenyl)sulfonyl]-;2-Amino-4'-methyl-4-diphenylsulfonesulfonic acid;EINECS 269-386-8;Benzenesulfonic acid, 3-amino-4-((4-methylphenyl)sulfonyl)-;3-Amino-4-((p-tolyl)sulphonyl)benzenesulphonic acid;3-AMINO-4-[(P-TOLYL)SULPHONYL]BENZENESULPHONIC ACID;3-amino-4-[(4-methylphenyl)sulfonyl]benzenesulfonic acid;SCHEMBL9299326;DTXSID6071297;C13H13NO5S2;C13-H13-N-O5-S2;3-Amino-4-[(p-tolyl)sulfonyl]benzenesulfonic acid

Chemical Property of Benzenesulfonic acid, 3-amino-4-[(4-methylphenyl)sulfonyl]-

Chemical Property:

• PKA: -1.85±0.50(Predicted)
• PSA: 131.29000
• Density: 1.494g/cm³
• LogP: 4.39950
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 327.02351486
• Heavy Atom Count: 21
• Complexity: 552

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)O)N

Technology Process of Benzenesulfonic acid, 3-amino-4-[(4-methylphenyl)sulfonyl]-

There total 1 articles about Benzenesulfonic acid, 3-amino-4-[(4-methylphenyl)sulfonyl]- 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:

p-toluene sulfinic acid (536-57-2) + 3-nitro-4-chlorobenzenesulfonic acid (121-18-6) → 3-amino-4-(toluene-4-sulfonyl)-benzenesulfonic acid (68227-75-8)

Guidance literature:

nachf. Reduktion;

Reference yield:

3-amino-4-(toluene-4-sulfonyl)-benzenesulfonic acid (68227-75-8) → 3-(3-methyl-5-oxo-2,5-dihydro-pyrazol-1-yl)-4-(toluene-4-sulfonyl)-benzenesulfonic acid

Guidance literature:

durch Ueberfuehrung in das entsprechende Hydrazin und Behandeln mit Acetessigester;

upstream raw materials:

p-toluene sulfinic acid

3-nitro-4-chlorobenzenesulfonic acid