Di-p-tolyl sulfone

Base Information

• Chemical Name: Di-p-tolyl sulfone
• CAS No.: 599-66-6
• Molecular Formula: C14H14O2S
• Molecular Weight: 246.33
• Hs Code.: 2904100000
• European Community (EC) Number: 209-969-6
• NSC Number: 208
• UNII: MMK3ZM7GGJ
• DSSTox Substance ID: DTXSID5060518
• Nikkaji Number: J43.532E
• Wikidata: Q81989111
• ChEMBL ID: CHEMBL220009
• Mol file: 599-66-6.mol

Synonyms:Di-p-tolyl sulfone;599-66-6;p-Tolyl sulfone;Bis(4-methylphenyl) sulfone;benzene, 1,1'-sulfonylbis[4-methyl-;Sulfone, di-p-tolyl;p,p'-Ditolyl sulfone;4,4'-Ditolyl sulfone;4,4-Sulfonylbis(methylbenzene);1-methyl-4-(4-methylphenyl)sulfonylbenzene;4,4'-Sulfonylbis(methylbenzene);4,4'-Dimethyldiphenylsulfone;Di-p-tolyl sulphone;Bis(p-tolyl) sulfone;NSC 208;1-methyl-4-(4-methylbenzenesulfonyl)benzene;MMK3ZM7GGJ;1,1'-sulfonylbis(4-methylbenzene);Benzene, 1,1'-sulfonylbis(4-methyl-;4,4'-Dimethyldiphenyl sulfone;NSC-208;EINECS 209-969-6;AI3-32580;1,1'-Sulfonylbis[4-methylbenzene];Tolyl sulfone, p-;Bis(4-tolyl) sulfone;UNII-MMK3ZM7GGJ;Maybridge4_000627;Bis(p-methylphenyl) sulfone;Cambridge id 5137156;Di-p-tolyl sulfone, 99%;Oprea1_167820;CBDivE_012632;MLS000532709;SCHEMBL170033;CHEMBL220009;NSC208;DTXSID5060518;Benzene,1'-sulfonylbis[4-methyl-;HMS1522M11;HMS2469J14;AMY22341;1-methyl-4-(p-tolylsulfonyl)benzene;MFCD00041332;STL186166;AKOS003239393;CS-W012691;IDI1_031209;Benzene, 1,1'-sulfonylbis(4-methyl-);NCGC00177373-01;AS-56974;SMR000140147;D70245;1-Methyl-4-[(4-methylphenyl)sulfonyl]benzene #;BRD-K56114876-001-01-6

Chemical Property of Di-p-tolyl sulfone

Chemical Property:

• Vapor Pressure: 3.64E-06mmHg at 25°C
• Melting Point: 158-160 °C(lit.)
• Refractive Index: 1.575
• Boiling Point: 397.4 °C at 760 mmHg
• Flash Point: 233 °C
• PSA: 42.52000
• Density: 1.171 g/cm³
• LogP: 4.21700
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: chloroform: soluble25mg/mL, clear, colorless to yellow
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 246.07145086
• Heavy Atom Count: 17
• Complexity: 298

Purity/Quality:

99.9% ^*data from raw suppliers

Di-p-tolyl sulfone 99% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C
• Uses: 4,4''-Ditolyl Sulfone is used in preparation method of OLED material for improving luminous efficiency. Di-p-tolyl sulfone may be used in the synthesis of isomeric p-tolylpyridines (α , β and γ ) by photochemical decomposition.

Technology Process of Di-p-tolyl sulfone

There total 92 articles about Di-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: 98.0%

di-(p-tolyl)sulfane (620-94-0) → bis(4-methylphenyl) sulfone (599-66-6)

Guidance literature:

With Octanoic acid; dihydrogen peroxide; In acetonitrile; at 50 ℃; for 0.5h; Schlenk technique; Green chemistry;

DOI:10.1007/s10562-016-1932-1

Reference yield: 96.0%

4-tolyl iodide (624-31-7) + sodium 4-methylbenzenesulfinate (824-79-3) → bis(4-methylphenyl) sulfone (599-66-6)

Guidance literature:

With 9,9-dimethyl-4,6-bis(diphenylphosphino)xanthene; tetrabutyl-ammonium chloride; caesium carbonate; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In toluene; at 80 ℃; for 6h;

DOI:10.1021/jo0493469

Reference yield: 95.0%

sodium 4-methylbenzenesulfinate (824-79-3) → bis(4-methylphenyl) sulfone (599-66-6)

Guidance literature:

With copper diacetate; In acetonitrile; at 60 ℃; for 3h; Reagent/catalyst; Solvent;

DOI:10.3184/174751914X13946336636551

upstream raw materials:

di-(p-tolyl)sulfane

di(p-tolyl) sulfoxide

2-(toluene-4-sulfonylamino)-benzoic acid

4-methyl-2-(4-methylphenylsulfonamido)benzoic acid

Downstream raw materials:

bis-(4-methyl-3-nitro-phenyl)-sulfone

bis(4-carboxyphenyl)sulfone

1-(4-(bromomethyl)phenylsulfonyl)-4-(bromomethyl)benzene

4,4'-sulfonyl-bis-toluene-2-sulfonyl chloride

Refernces

• 1、 Feng, Yueji,Tuo, Yanyan,Zhang, Xiaohui,Zheng, Qing-Zhong. "Metal-free sulfonylation of arenes with: N -fluorobenzenesulfonimide via cleavage of S-N bonds: expeditious synthesis of diarylsulfones". supporting information. p. 768 - 772. Retrieved 2022/02/03.
• 2、 Liu, Kai-Jian,Wang, Zheng,Lu, Ling-Hui,Chen, Jin-Yang,Zeng, Fei,Lin, Ying-Wu,Cao, Zhong,Yu, Xianyong,He, Wei-Min. "Synergistic cooperative effect of CF3SO2Na and bis(2-butoxyethyl)ether towards selective oxygenation of sulfides with molecular oxygen under visible-light irradiation". supporting information. p. 496 - 500. Retrieved 2021/01/28.