1-(Ethanesulfonyl)-4-(methanesulfonyl)benzene

Base Information

• Chemical Name: 1-(Ethanesulfonyl)-4-(methanesulfonyl)benzene
• CAS No.: 83514-65-2
• Molecular Formula: C₉H₁₂O₄S₂
• Molecular Weight: 248.324
• DSSTox Substance ID: DTXSID50509275
• Wikidata: Q82366724
• Mol file: 83514-65-2.mol

Synonyms:83514-65-2;1-(Ethanesulfonyl)-4-(methanesulfonyl)benzene;SCHEMBL23351954;DTXSID50509275

Chemical Property of 1-(Ethanesulfonyl)-4-(methanesulfonyl)benzene

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 248.01770121
• Heavy Atom Count: 15
• Complexity: 388

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C

Technology Process of 1-(Ethanesulfonyl)-4-(methanesulfonyl)benzene

There total 2 articles about 1-(Ethanesulfonyl)-4-(methanesulfonyl)benzene 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:

1-(ethylthio)-4-(methylthio)benzene (83500-75-8) → 1-Ethanesulfonyl-4-methanesulfonyl-benzene (83514-65-2)

Guidance literature:

With dihydrogen peroxide; In acetic acid;

DOI:10.1055/s-1982-29844

Reference yield:

4-(Methylthio)-phenyl isopropyl sulphide (70398-91-3) → 1-Ethanesulfonyl-4-methanesulfonyl-benzene (83514-65-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaOCH₃ / 1.) HMPT, 120 deg C, 8 h

2: H₂O₂ / acetic acid

With dihydrogen peroxide; sodium methylate; In acetic acid;

DOI:10.1055/s-1982-29844

upstream raw materials:

1-(ethylthio)-4-(methylthio)benzene

4-(Methylthio)-phenyl isopropyl sulphide