Sulfuric acid, 4-nitrophenyl phenyl ester

Base Information

• Chemical Name: Sulfuric acid, 4-nitrophenyl phenyl ester
• CAS No.: 98495-96-6
• Molecular Formula: C12H9NO6S
• Molecular Weight: 295.273
• DSSTox Substance ID: DTXSID70466654
• Nikkaji Number: J2.138.721E
• Mol file: 98495-96-6.mol

Synonyms:98495-96-6;Sulfuric acid, 4-nitrophenyl phenyl ester;DTXSID70466654

Chemical Property of Sulfuric acid, 4-nitrophenyl phenyl ester

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 295.01505818
• Heavy Atom Count: 20
• Complexity: 412

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OS(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of Sulfuric acid, 4-nitrophenyl phenyl ester

There total 4 articles about Sulfuric acid, 4-nitrophenyl phenyl ester 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: 15.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + phenylchlorosulfate (16475-29-9) → 4-nitrophenyl phenyl sulfate (98495-96-6)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.1021/jo0488309

Reference yield:

potassium phenolate (100-67-4) → 4-nitrophenyl phenyl sulfate (98495-96-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 17 percent / SO₂Cl₂ / benzene / 0 - 20 °C

2: 15 percent / DBU / tetrahydrofuran / 24 h / 20 °C

With sulfuryl dichloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; benzene;

DOI:10.1021/jo0488309

Reference yield:

4-nitrophenyl sulfurochloridate (18997-12-1) + phenol (108-95-2,27073-41-2) → 4-nitrophenyl phenyl sulfate (98495-96-6)

Guidance literature:

With pyridine; at 125 - 130 ℃;

upstream raw materials:

4-nitro-phenol

phenylchlorosulfate

4-nitrophenyl sulfurochloridate

phenol

Downstream raw materials:

4-nitrophenol sodium salt

Refernces