1-Methanesulfonyl-2-methoxy-benzene

Base Information

• Chemical Name: 1-Methanesulfonyl-2-methoxy-benzene
• CAS No.: 13736-79-3
• Molecular Formula: C8H10O3S
• Molecular Weight: 186.232
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID40374878
• Nikkaji Number: J3.608.499E
• Wikidata: Q82163452
• Mol file: 13736-79-3.mol

Synonyms:13736-79-3;1-methoxy-2-(methylsulfonyl)benzene;1-methanesulfonyl-2-methoxy-benzene;1-methoxy-2-methylsulfonylbenzene;1-methanesulfonyl-2-methoxybenzene;Benzene, 1-methoxy-2-(methylsulfonyl)-;C8H10O3S;SCHEMBL69581;o-methoxyphenyl methyl sulfone;Methyl(2-methoxyphenyl) sulfone;DTXSID40374878;GSTCKFVNJNBRQY-UHFFFAOYSA-N;AKOS006241135;FS-5285;CS-0303248;EN300-95310;J3.608.499E;F87072

Chemical Property of 1-Methanesulfonyl-2-methoxy-benzene

Chemical Property:

• PSA: 51.75000
• LogP: 2.17950
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.03506535
• Heavy Atom Count: 12
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

2-Methoxyphenylmethylsulfone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1S(=O)(=O)C

Technology Process of 1-Methanesulfonyl-2-methoxy-benzene

There total 23 articles about 1-Methanesulfonyl-2-methoxy-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-2-(methylsulfanyl)benzene (2388-73-0) → 1-methanesulfonyl-2-methoxy-benzene (13736-79-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid;

DOI:10.1039/c39940000753

Reference yield: 95.0%

1-methoxy-2-(methylsulfanyl)benzene (2388-73-0) → 1-methylsulfinyl-2-methoxybenzene (38452-13-0) + 1-methanesulfonyl-2-methoxy-benzene (13736-79-3)

Guidance literature:

With dihydrogen peroxide; titanium binaphthyl-bridged Schiff base; at 20 ℃; for 0.25h;

DOI:10.1016/j.tetlet.2006.07.133

Reference yield: 88.0%

1-methoxy-2-(methylsulfanyl)benzene (2388-73-0) → methyl o-methoxyphenyl sulfoxide + 1-methanesulfonyl-2-methoxy-benzene (13736-79-3)

Guidance literature:

With dihydrogen peroxide; (Ra,S,S,Ra)-Al(salalen); In phosphate buffer; at 0 ℃; for 24h; pH=7.4;

DOI:10.1039/b719265g

upstream raw materials:

1-methylsulfinyl-2-methoxybenzene

ortho-methoxybenzenesulfinic acid

dimethyl sulfate

1-methoxy-2-(methylsulfanyl)benzene

Downstream raw materials:

2-hydroxyphenyl methyl sulfone

1-methoxy-2-(methylsulfonyl)-4-nitrobenzene

2-((2-methoxyphenyl)sulfonyl)ethanol

3-(2-Methoxy-benzenesulfonyl)-propan-1-ol

Refernces

• 1、 Cheng, Xiuyan,Jin, Yigang,Li, Yang,Li, Ze,Liu, Liyao,Sun, Yimeng,Xu, Wei,Zhang, Jianling,Zou, Ye. "Highly Crystalline Ag-based Coordination Polymers for Efficient Photocatalytic Oxidation of Sulfides". supporting information. . Retrieved 2022/03/15.
• 2、 Li, Hai-Lou,Lian, Chen,Yang, Guo-Yu. "{Ti6}/{Ti10} Wheel Cluster Substituted Silicotungstate Aggregates". . p. 16852 - 16859. Retrieved 2021/11/13.