[2,2-Bis(ethylsulfonyl)ethyl]benzene

Base Information

• Chemical Name: [2,2-Bis(ethylsulfonyl)ethyl]benzene
• CAS No.: 7144-96-9
• Molecular Formula: C12H18O4S2
• Molecular Weight: 290.405
• NSC Number: 47070
• DSSTox Substance ID: DTXSID60286707
• Wikidata: Q82022484
• Mol file: 7144-96-9.mol

Synonyms:7144-96-9;[2,2-bis(ethylsulfonyl)ethyl]benzene;NSC47070;DTXSID60286707;NSC-47070

Chemical Property of [2,2-Bis(ethylsulfonyl)ethyl]benzene

Chemical Property:

• Vapor Pressure: 1.75E-11mmHg at 25°C
• Boiling Point: 547.5°C at 760 mmHg
• Flash Point: 365.6°C
• Density: 1.258g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 290.06465140
• Heavy Atom Count: 18
• Complexity: 399

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCS(=O)(=O)C(CC1=CC=CC=C1)S(=O)(=O)CC

Technology Process of [2,2-Bis(ethylsulfonyl)ethyl]benzene

There total 5 articles about [2,2-Bis(ethylsulfonyl)ethyl]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-(2,2-bis(ethylthio)ethyl)benzene (60340-45-6) → 1,1-bis-ethanesulfonyl-2-phenyl-ethane (7144-96-9)

Guidance literature:

With water; dihydrogen peroxide; acetic acid;

DOI:10.1021/jo01098a014

Reference yield:

sodiodiethylsulphonylmethane (34782-38-2) + benzyl chloride (100-44-7) → 1,1-bis-ethanesulfonyl-2-phenyl-ethane (7144-96-9)

Guidance literature:

DOI:10.1021/ja01125a026

Reference yield:

phenylacetaldehyde (122-78-1) → 1,1-bis-ethanesulfonyl-2-phenyl-ethane (7144-96-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ZnCl₂; Na₂SO₄

2: water; acetic acid; H₂O₂

With water; dihydrogen peroxide; acetic acid; sodium sulfate; zinc(II) chloride;

DOI:10.1021/jo01098a014

upstream raw materials:

1-(2,2-bis(ethylthio)ethyl)benzene

sodiodiethylsulphonylmethane

benzyl chloride

phenylacetaldehyde

Downstream raw materials:

4,4-bis-ethanesulfonyl-5-phenyl-valeronitrile

4,4-bis-ethanesulfonyl-5-phenyl-valeric acid

5-Phenylpentanoic acid