1-Methoxy-4-(methylsulfonyl)benzene

Base Information

• Chemical Name: 1-Methoxy-4-(methylsulfonyl)benzene
• CAS No.: 3517-90-6
• Molecular Formula: C8H10O3S
• Molecular Weight: 186.232
• Hs Code.: 2909309090
• European Community (EC) Number: 673-629-7
• NSC Number: 87355
• DSSTox Substance ID: DTXSID30188663
• Nikkaji Number: J145.970H
• Wikidata: Q72517795
• Mol file: 3517-90-6.mol

Synonyms:3517-90-6;4-Methylsulfonylanisole;1-Methoxy-4-(methylsulfonyl)benzene;4-Methoxyphenyl methyl sulfone;4-METHOXYPHENYLMETHYLSULFONE;1-methoxy-4-methylsulfonylbenzene;p-Anisyl methyl sulfone;Benzene, 1-methoxy-4-(methylsulfonyl)-;Anisole, p-(methylsulfonyl)-;1-methanesulfonyl-4-methoxybenzene;p-Methoxyphenyl methyl sulfone;p-(Methylsulfonyl)anisole;Methyl 4-methoxyphenyl sulfone;methyl p-methoxyphenyl sulfone;SCHEMBL280156;SCHEMBL12015228;DTXSID30188663;NSC87355;CCG-40501;MFCD00025069;NSC 87355;NSC-87355;4-Methoxyphenyl methyl sulfone, 95%;AKOS002161631;1-Methoxy-4-(methylsulfonyl)benzene #;FS-4108;FT-0695217;EN300-213409;SR-01000400969;J-019976;SR-01000400969-1;Z196125820;InChI=1/C8H10O3S/c1-11-7-3-5-8(6-4-7)12(2,9)10/h3-6H,1-2H

Chemical Property of 1-Methoxy-4-(methylsulfonyl)benzene

Chemical Property:

• Vapor Pressure: 0.000163mmHg at 25°C
• Melting Point: 120-121.5 °C
• Refractive Index: 1.511
• Boiling Point: 341.1 °C at 760 mmHg
• Flash Point: 160.1 °C
• PSA: 51.75000
• Density: 1.199 g/cm³
• LogP: 2.17950
• Storage Temp.: Room temperature.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.03506535
• Heavy Atom Count: 12
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

4-METHOXYPHENYL METHYL SULFONE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)S(=O)(=O)C

Technology Process of 1-Methoxy-4-(methylsulfonyl)benzene

There total 50 articles about 1-Methoxy-4-(methylsulfonyl)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: 100.0%

1-methoxy-4-methylsulfanyl-benzene (1879-16-9) → p-anisyl methyl sulfone (3517-90-6)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid;

DOI:10.1039/c39940000753

Reference yield: 99.0%

1-methoxy-4-methylsulfanyl-benzene (1879-16-9) → p-anisyl methyl sulfone (3517-90-6) + 1-methoxy-4-(methylsulfinyl)benzene (3517-99-5)

Guidance literature:

With sodium hypochlorite pentahydrate; In water; acetonitrile; at 20 ℃; for 0.1h; Green chemistry;

DOI:10.1055/s-0035-1560482

Reference yield: 98.0%

para-iodoanisole (696-62-8) + sodium methansulfinate (20277-69-4) → p-anisyl methyl sulfone (3517-90-6)

Guidance literature:

With potassium phosphate; copper(l) iodide; (2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide; In dimethyl sulfoxide; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.joc.8b00888

upstream raw materials:

1-methoxy-4-methylsulfanyl-benzene

1-methoxy-4-(methylsulfinyl)benzene

adamantylidene-adamantane

diphenylmethyl <(p-methoxyphenyl)sulfonyl>methyl sulfoxide

Downstream raw materials:

4-methanesulfonyl-phenol

Refernces

• 1、 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.
• 2、 Amri, Nasser,Wirth, Thomas. "Flow Electrosynthesis of Sulfoxides, Sulfones, and Sulfoximines without Supporting Electrolytes". . p. 15961 - 15972. Retrieved 2021/07/20.