2-[[(4-Methylphenyl)sulfonyl]oxy]-1,4-naphthalenedione

Base Information

• Chemical Name: 2-[[(4-Methylphenyl)sulfonyl]oxy]-1,4-naphthalenedione
• CAS No.: 70871-48-6
• Molecular Formula: C17H12O5S
• Molecular Weight: 328.345
• ChEMBL ID: CHEMBL4867951
• DSSTox Substance ID: DTXSID201208974
• Nikkaji Number: J2.414.796G
• Mol file: 70871-48-6.mol

Synonyms:CHEMBL4867951;DTXSID201208974;70871-48-6;2-[[(4-Methylphenyl)sulfonyl]oxy]-1,4-naphthalenedione

Chemical Property of 2-[[(4-Methylphenyl)sulfonyl]oxy]-1,4-naphthalenedione

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 328.04054465
• Heavy Atom Count: 23
• Complexity: 620

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=O)C3=CC=CC=C3C2=O

Technology Process of 2-[[(4-Methylphenyl)sulfonyl]oxy]-1,4-naphthalenedione

There total 1 articles about 2-[[(4-Methylphenyl)sulfonyl]oxy]-1,4-naphthalenedione 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: 85.0%

2-hydroxynaphtho-1,4-quinone (83-72-7) + p-toluenesulfonyl chloride (98-59-9) → 1,4-naphthalenedione, 2-[[(4-methylphenyl)sulfonyl]oxy] (70871-48-6)

Guidance literature:

With potassium carbonate; 1.) acetone, 45 deg C, 1 h, 2.) acetone, 2 h;

DOI:10.1002/ardp.19843170706

Reference yield: 79.0%

1,4-naphthalenedione, 2-[[(4-methylphenyl)sulfonyl]oxy] (70871-48-6) + bis(methoxycarbonyl)(phenyliodinio)methanide (145838-86-4) → dimethyl 2,7-dioxo-1a-(tosyloxy)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1,1-dicarboxylate

Guidance literature:

With [bis(acetoxy)iodo]benzene; tetra-(n-butyl)ammonium iodide; In acetonitrile; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c7cc04859a

Reference yield:

1,4-naphthalenedione, 2-[[(4-methylphenyl)sulfonyl]oxy] (70871-48-6) + dimethyl sulfoxide (67-68-5,8070-53-9) → phthiocol (483-55-6)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1002/ardp.19843170706

upstream raw materials:

2-hydroxynaphtho-1,4-quinone

p-toluenesulfonyl chloride

Downstream raw materials:

phthiocol