4-Ethylphenylmethylsulfone

Base Information

• Chemical Name: 4-Ethylphenylmethylsulfone
• CAS No.: 31218-79-8
• Molecular Formula: C₉H₁₂O₂S
• Molecular Weight: 184.259
• DSSTox Substance ID: DTXSID801300839
• Nikkaji Number: J3.118.014G
• Mol file: 31218-79-8.mol

Synonyms:4-Ethylphenylmethylsulfone;31218-79-8;1-Ethyl-4-(methylsulfonyl)benzene;1-ethyl-4-methanesulfonylbenzene;1-ethyl-4-methylsulfonylbenzene;p-ethylphenyl methyl sulfone;Methyl p-ethylphenyl sulfone;SCHEMBL172035;DTXSID801300839;AKOS006278644;FS-1599;CS-0296670;Z1198163251

Chemical Property of 4-Ethylphenylmethylsulfone

Chemical Property:

• Melting Point: 43-44 °C
• Boiling Point: 320.9±25.0 °C(Predicted)
• Density: 1.123±0.06 g/cm3(Predicted)
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.05580079
• Heavy Atom Count: 12
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)S(=O)(=O)C

Technology Process of 4-Ethylphenylmethylsulfone

There total 6 articles about 4-Ethylphenylmethylsulfone 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: 87.0%

di-tert-butyl peroxide (110-05-4) + sodium p-ethylbenzenesulfinic acid → 1-ethyl-4-(methylsulfonyl)benzene (31218-79-8)

Guidance literature:

With water; at 110 ℃; for 12h; Sealed tube; Green chemistry;

DOI:10.1016/j.tetlet.2017.12.074

Reference yield: 65.0%

1-bromo-4-ethylbenzene (1585-07-5) + dimethyl sulfoxide (67-68-5,8070-53-9) → 1-ethyl-4-(methylsulfonyl)benzene (31218-79-8)

Guidance literature:

With copper(I) oxide; potassium tert-butylate; oxygen; acetylacetone; at 120 ℃; for 20h;

DOI:10.1039/c2cc32964f

Reference yield: 58.0%

4-ethyl-1-iodobenzene (25309-64-2) + dimethyl sulfoxide (67-68-5,8070-53-9) → 1-ethyl-4-(methylsulfonyl)benzene (31218-79-8)

Guidance literature:

With copper(I) oxide; potassium tert-butylate; oxygen; acetylacetone; at 100 ℃; for 20h;

DOI:10.1039/c2cc32964f

upstream raw materials:

1-Ethyl-4-methanesulfinyl-benzene

ethylbenzene

Methanesulfonic anhydride

1-bromo-4-ethylbenzene

Downstream raw materials:

4-(methylsulfonyl)benzamide

4-(methanesulfonyl)acetophenone

2-bromo-1-(4-methanesulfonylphenyl)ethanone

2-amino-4-(4′-methanesulfonylphenyl)thiazole

Refernces

• 1、 Lai, Junyi,Yuan, Gaoqing. "A novel synthesis of aryl methyl sulfones and β-hydroxysulfones from sodium sulfinates and di-tert-butyl peroxide in H2O medium". supporting information. p. 524 - 527. Retrieved 2018/01/10.
• 2、 Smith, Keith,Ewart, Gordon M.,El-Hiti, Gamal A.,Randles, Kenneth R.. "Study of regioselective methanesulfonylation of simple aromatics with methanesulfonic anhydride in the presence of zeolite catalysts". . p. 3150 - 3154. Retrieved 2007/10/03.