Hydroxy(5-((3-(hydroxy(oxido)amino)-4-(4-(hydroxy(oxido)amino)phenoxy)phenyl)sulfonyl)-2-(4-(hydroxy(oxido)amino)phenoxy)phenyl)azane oxide

Base Information

• Chemical Name: Hydroxy(5-((3-(hydroxy(oxido)amino)-4-(4-(hydroxy(oxido)amino)phenoxy)phenyl)sulfonyl)-2-(4-(hydroxy(oxido)amino)phenoxy)phenyl)azane oxide
• CAS No.: 3950-58-1
• Molecular Formula: C₂₄H₁₄N₄O₁₂S
• Molecular Weight: 582.461
• NSC Number: 177740
• DSSTox Substance ID: DTXSID50192646
• Wikidata: Q83065307
• Mol file: 3950-58-1.mol

Synonyms:3950-58-1;NSC 177740;NSC177740;Hydroxy(5-((3-(hydroxy(oxido)amino)-4-(4-(hydroxy(oxido)amino)phenoxy)phenyl)sulfonyl)-2-(4-(hydroxy(oxido)amino)phenoxy)phenyl)azane oxide;2-nitro-4-[3-nitro-4-(4-nitrophenoxy)phenyl]sulfonyl-1-(4-nitrophenoxy)benzene;DTXSID50192646;NSC-177740

Chemical Property of Hydroxy(5-((3-(hydroxy(oxido)amino)-4-(4-(hydroxy(oxido)amino)phenoxy)phenyl)sulfonyl)-2-(4-(hydroxy(oxido)amino)phenoxy)phenyl)azane oxide

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 582.03289307
• Heavy Atom Count: 41
• Complexity: 985

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Hydroxy(5-((3-(hydroxy(oxido)amino)-4-(4-(hydroxy(oxido)amino)phenoxy)phenyl)sulfonyl)-2-(4-(hydroxy(oxido)amino)phenoxy)phenyl)azane oxide

There total 2 articles about Hydroxy(5-((3-(hydroxy(oxido)amino)-4-(4-(hydroxy(oxido)amino)phenoxy)phenyl)sulfonyl)-2-(4-(hydroxy(oxido)amino)phenoxy)phenyl)azane oxide 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:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + bis(4-chloro-3-nitrophenyl)sulfone (1759-05-3) → 3,3'-dinitro-4,4'-di(p-nitrophenoxy)diphenylsulfone (3950-58-1)

Guidance literature:

Multistep reaction; (i) aq. NaOH, (ii) /BRN= 2065468/, acetone;

DOI:10.1021/jm00325a039

Reference yield:

4,4'-dichlorodiphenyl sulphone (80-07-9,30605-10-8,85228-26-8,36313-66-3) → 3,3'-dinitro-4,4'-di(p-nitrophenoxy)diphenylsulfone (3950-58-1)

Guidance literature:

Multi-step reaction with 2 steps

1: (nitration)

2: (i) aq. NaOH, (ii) /BRN= 2065468/, acetone

DOI:10.1021/jm00325a039

Reference yield:

3,3'-dinitro-4,4'-di(p-nitrophenoxy)diphenylsulfone (3950-58-1) → bis<3-amino-4-(4-aminophenoxy)>diphenylsulfone (115542-17-1)

Guidance literature:

With ;

upstream raw materials:

4-nitro-phenol

bis(4-chloro-3-nitrophenyl)sulfone

4,4'-dichlorodiphenyl sulphone

Downstream raw materials:

bis<3-amino-4-(4-aminophenoxy)>diphenylsulfone

Refernces

• 1、 HART,MCGREAL. "SOME BIS(3-NITRO-AND 3-AMINO-4-ALKOXY- AND -4-ARYLOXYPHENYL) SULFONES.". . p. 141 - 142. Retrieved 2007/10/13.