Methyl p-tolyl sulfone

Base Information

• Chemical Name: Methyl p-tolyl sulfone
• CAS No.: 3185-99-7
• Molecular Formula: C8H10O2S
• Molecular Weight: 170.232
• Hs Code.: 29309090
• European Community (EC) Number: 221-682-8
• NSC Number: 29038,2722
• UNII: TG77SM513A
• DSSTox Substance ID: DTXSID6075229
• Nikkaji Number: J76.383G
• Wikidata: Q27289950
• ChEMBL ID: CHEMBL1088935
• Mol file: 3185-99-7.mol

Synonyms:3185-99-7;Methyl p-tolyl sulfone;1-Methyl-4-(methylsulfonyl)benzene;4-(Methylsulfonyl)toluene;p-Tolyl methyl sulfone;Benzene, 1-methyl-4-(methylsulfonyl)-;Sulfone, methyl p-tolyl;1-methyl-4-methylsulfonylbenzene;Methylp-TolylSulfone;p-(methylsulfonyl)toluene;p-(Methylsulphonyl)toluene;4-(methylsulphonyl)toluene;1-Methanesulfonyl-4-methyl-benzene;1-methanesulfonyl-4-methylbenzene;Methyl 4-tolyl sulfone;NSC 2722;NSC 29038;UNII-TG77SM513A;TG77SM513A;59203-01-9;NSC-2722;EINECS 221-682-8;MFCD00014742;NSC-29038;1-Methyl-4-(methylsulfonyl)-benzene;P-METHYLSULFONYLTOLUENE;p-tolylmethylsulphone;Ts-Me;Methyl p-tolylsulfone;4-methylsulfonyltoluene;Methyl p-tolyl sulphone;(p-Tolylsulfonyl)methane;p-(Methylsulfonyl)toluol;Maybridge4_002299;methyl-p-toluene sulfonate;SCHEMBL12807;METHYL 4-TOLYLSULFONE;Methyl (S)-p-toluenesulfinate;SCHEMBL9541106;methyl-(4-methylphenyl)sulphone;CHEMBL1088935;DTXSID6075229;methyl (4-methylphenyl) sulfone;1-Methansulfonyl-4-methylbenzene;NSC2722;4-(Methylsulfonyl)toluene, 97%;HMS1527I11;4-methanesulfonyl-1-methyl-benzene;NSC29038;2-Benzoxazolemethanaminehydrochloride;4-METHYLPHENYL METHYL SULFONE;CCG-49782;1-Methyl-4-(methyl-sulphonyl)benzene;1-Methyl-4-(methylsulfonyl)benzene #;AKOS000352549;FS-1023;NCGC00176705-01;AC-18789;SY002922;CS-0117038;FT-0628801;FT-0695828;M0842;D70958;EN300-295475;A821032;AE-095/31500059;J-521718;SR-01000639213-1;W-106873;BRD-K92730216-001-01-4;Q27289950;1-methyl-4-methylsulfonyl-benzene;Methyl p-Tolyl Sulfone

Chemical Property of Methyl p-tolyl sulfone

Chemical Property:

• Appearance/Colour: White to light beige crystalline powder
• Vapor Pressure: 0.00102mmHg at 25°C
• Melting Point: 85-89 °C(lit.)
• Refractive Index: 1.519
• Boiling Point: 311.7 °C at 760 mmHg
• Flash Point: 173.4 °C
• PSA: 42.52000
• Density: 1.154 g/cm³
• LogP: 2.47930
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 不溶于水，溶于醇，醚等有机溶剂。
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.04015073
• Heavy Atom Count: 11
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

Methyl p-Tolyl Sulfone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,F
• Hazard Codes: Xn,F
• Statements: 22-37/38-41
• Safety Statements: 26-36-24/25

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)C

Technology Process of Methyl p-tolyl sulfone

There total 134 articles about Methyl 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: 100.0%

4-methylphenyl methylsulfide (623-13-2) → Methyl p-tolyl sulfone (3185-99-7)

Guidance literature:

With HOF* CH₃CN; In chloroform; water;

DOI:10.1021/jo961862e

Reference yield: 93.0%

4-methylphenyl methylsulfide (623-13-2) → Methyl p-tolyl sulfoxide (934-72-5) + Methyl p-tolyl sulfone (3185-99-7)

Guidance literature:

With chloro-trimethyl-silane; In acetonitrile; at -15 ℃; for 11h;

DOI:10.1016/S0040-4039(00)00828-5

Reference yield: 89.0%

di-tert-butyl peroxide (110-05-4) + sodium 4-methylbenzenesulfinate (824-79-3) → Methyl p-tolyl sulfone (3185-99-7)

Guidance literature:

In water; at 80 ℃; for 12h; Sealed tube;

upstream raw materials:

4-toluenesulfonylacetone

ethanol

sodium ethanolate

diethyl ether

Downstream raw materials:

N-(4-methylphenyl)piperidine

1-diacetoxymethyl-4-methanesulfonyl-benzene

1-methyl-4-[(E)-2-phenylethenesulfonyl]benzene

bromomethyl 4-tolyl sulfone

Refernces

• 1、 Xue, Xiaoling,Zhao, Wei,Ma, Baochun,Ding, Yong. "Efficient oxidation of sulfides catalyzed by a temperature-responsive phase transfer catalyst [(C18H37)2(CH 3)2N]7 PW11O39 with hydrogen peroxide". . p. 73 - 76. Retrieved 2012.
• 2、 Dames, Angeline,Fung Lee, Ngo,Klaine, Seth,Zhang, Rui. "Visible light generation of chromium(V)-oxo salen complexes and mechanistic insights into catalytic sulfide oxidation". . . Retrieved 2020.
• 3、 Cai, Linkun,Hu, Jie,Li, Mu,Yin, Panchao. "Hybrid catalysts of molybdovanadophosphoric acid and g-C3N4with tunable bandgaps". . p. 10724 - 10728. Retrieved 2020.
• 4、 Wang, Jiawei,Niu, Yanjun,Zhang, Meng,Ma, Pengtao,Zhang, Chao,Niu, Jingyang,Wang, Jingping. "Organophosphonate-Functionalized Lanthanopolyoxomolybdate: Synthesis, Characterization, Magnetism, Luminescence, and Catalysis of H2O2-Based Thioether Oxidation". . p. 1796 - 1805. Retrieved 2018.
• 5、 Yin, Panchao,Bayaguud, Aruuhan,Cheng, Peng,Haso, Fadi,Hu, Lang,Wang, Joy,Vezenov, Dmitri,Winans, Randall E.,Hao, Jian,Li, Tao,Wei, Yongge,Liu, Tianbo. "Spontaneous stepwise self-assembly of a polyoxometalate-organic hybrid into catalytically active one-dimensional anisotropic structures". . p. 9589 - 9595. Retrieved 2014.
• 6、 Meek,Fowler. "-". . p. 3422. Retrieved 1968.
• 7、 Liu, Teng,Yu, Shiwen,Shen, Xiang,Li, Yixian,Liu, Jianjun,Huang, Chao,Cheng, Feixiang. "High Chemoselectivity in the Construction of Aryl Methyl Sulfones via an Unexpected C-S Bond Formation between Sulfonylhydrazides and Dimethyl Phosphite". . p. 153 - 160. Retrieved 2021/10/04.
• 8、 Bresciani, Giulio,Ciancaleoni, Gianluca,Crucianelli, Marcello,Gemmiti, Mario,Marchetti, Fabio,Pampaloni, Guido. "Niobium(V) oxido tris-carbamate as easily available and robust catalytic precursor for the selective sulfide to sulfone oxidation". . . Retrieved 2021/11/01.