Ethyl p-tolyl sulfone

Base Information

• Chemical Name: Ethyl p-tolyl sulfone
• CAS No.: 7569-34-8
• Molecular Formula: C9H12O2S
• Molecular Weight: 184.259
• Hs Code.: 2904100000
• NSC Number: 140243
• UNII: US48EZ4X2E
• DSSTox Substance ID: DTXSID80226600
• Nikkaji Number: J48.754F
• Wikidata: Q83106075
• Mol file: 7569-34-8.mol

Synonyms:7569-34-8;1-(ethylsulfonyl)-4-methylbenzene;Ethyl p-tolyl sulfone;Sulfone, ethyl p-tolyl;1-ethylsulfonyl-4-methylbenzene;Benzene, 1-(ethylsulfonyl)-4-methyl-;1-(ethanesulfonyl)-4-methylbenzene;NSC 140243;BRN 1945075;US48EZ4X2E;1-ethanesulfonyl-4-methyl-benzene;NSC-140243;4-06-00-02156 (Beilstein Handbook Reference);p-Tolylethyl sulfone;UNII-US48EZ4X2E;SCHEMBL86088;DTXSID80226600;MFCD00093031;NSC140243;AKOS003653123;LS-147996;CS-0299630;EN300-95341;E83647

Chemical Property of Ethyl p-tolyl sulfone

Chemical Property:

• Vapor Pressure: 0.000486mmHg at 25°C
• Boiling Point: 323.7°C at 760 mmHg
• Flash Point: 178.9°C
• PSA: 42.52000
• Density: 1.123g/cm³
• LogP: 2.86940
• XLogP3: 2.6
• 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

1-(Ethylsulfonyl)-4-methylbenzene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl p-tolyl sulfone

There total 28 articles about Ethyl p-tolyl sulfone 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: 97.4%

ethyl iodide (75-03-6) + sodium 4-methylbenzenesulfinate (824-79-3) → ethyl p-tolyl sulfone (7569-34-8)

Guidance literature:

With tetrabutylammomium bromide; In water; acetone; toluene; at 82 ℃; for 6h;

Reference yield: 97.0%

ethyl p-tolyl sulfide (622-63-9) → ethyl p-tolyl sulfone (7569-34-8)

Guidance literature:

With Oxone; aluminium trichloride; for 0.5h; Heating;

Reference yield: 89.0%

ethyl bromide (74-96-4) + sodium 4-methylbenzenesulfinate (824-79-3) → ethyl p-tolyl sulfone (7569-34-8)

Guidance literature:

In various solvent(s); at 60 ℃; for 3h; other solvents;

DOI:10.1246/bcsj.57.613

upstream raw materials:

ethyl bromide

sodium 4-methylbenzenesulfinate

diethyl sulfate

ethyl p-tolyl sulfide

Downstream raw materials:

1-phenyl-2-p-tosylpropan-1-ol

2-(toluene-4-sulfonyl)-propionic acid anilide

4-(ethylsulfonyl)benzoic acid

di(p-tolyl) disulfide

Refernces

• 1、 Anselmi, Silvia,Liu, Siyu,Kim, Seong-Heun,Barry, Sarah M.,Moody, Thomas S.,Castagnolo, Daniele. "A mild and chemoselective CALB biocatalysed synthesis of sulfoxides exploiting the dual role of AcOEt as solvent and reagent". supporting information. p. 156 - 161. Retrieved 2021/01/14.
• 2、 Sun, Jian,Mu, Yangxiu,Iqbal, Zafar,Hou, Jing,Yang, Minghua,Yang, Zhixiang,Tang, Dong. "Iodine-Mediated Sulfenylation of Imidazo[1,2- a ]pyridines with Ethyl Arylsulfinates". supporting information. p. 1014 - 1018. Retrieved 2021/03/15.