4-[(2-Nitrophenyl)disulfanyl]phenol

Base Information

• Chemical Name: 4-[(2-Nitrophenyl)disulfanyl]phenol
• CAS No.: 21101-58-6
• Molecular Formula: C₁₂H₉NO₃S₂
• Molecular Weight: 279.34
• DSSTox Substance ID: DTXSID30491422
• Wikidata: Q82335981
• Mol file: 21101-58-6.mol

Synonyms:4-[(2-Nitrophenyl)disulfanyl]phenol;21101-58-6;DTXSID30491422

Chemical Property of 4-[(2-Nitrophenyl)disulfanyl]phenol

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 279.00238550
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SSC2=CC=C(C=C2)O

Technology Process of 4-[(2-Nitrophenyl)disulfanyl]phenol

There total 2 articles about 4-[(2-Nitrophenyl)disulfanyl]phenol 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-sulfanylphenol (637-89-8) + 2-nitrobenzenesulfenyl chloride (7669-54-7) → 4-hydroxy-2'-nitro-diphenyl-1,1'-disulphid (21101-58-6)

Guidance literature:

With diethyl ether; copper;

Reference yield:

bis(2-nitrophenyl)disulfide (1155-00-6) + 4-sulfanylphenol (637-89-8) → 4-hydroxy-2'-nitro-diphenyl-1,1'-disulphid (21101-58-6)

Guidance literature:

Multistep reaction; (i) Cl₂, Et₂O, (ii) /BRN= 2039306/;

DOI:10.1246/bcsj.41.2082

Reference yield: 40.0%

4-hydroxy-2'-nitro-diphenyl-1,1'-disulphid (21101-58-6) + 5-(dimethylamino)naphth-1-ylsulfonyl chloride (605-65-2) → 5-Dimethylamino-naphthalene-1-sulfonic acid 4-(2-nitro-phenyldisulfanyl)-phenyl ester

Guidance literature:

With triethylamine; In diethyl ether;

upstream raw materials:

4-sulfanylphenol

2-nitrobenzenesulfenyl chloride

bis(2-nitrophenyl)disulfide

Downstream raw materials:

1-acetoxy-4-(2-nitro-phenyldisulfanyl)-benzene

1-benzoyloxy-4-(2-nitro-phenyldisulfanyl)-benzene

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