5-Methyl-2-(phenylsulfonyl)hydroquinone

Base Information

• Chemical Name: 5-Methyl-2-(phenylsulfonyl)hydroquinone
• CAS No.: 30958-16-8
• Molecular Formula: C13H12O4S
• Molecular Weight: 264.302
• Hs Code.: 2907299090
• DSSTox Substance ID: DTXSID50435747
• Nikkaji Number: J163.954D
• Wikidata: Q82250838
• Mol file: 30958-16-8.mol

Synonyms:AGN-PC-0MYVGV;DTXSID50435747;5-Methyl-2-(phenylsulfonyl)hydroquinone

Chemical Property of 5-Methyl-2-(phenylsulfonyl)hydroquinone

Chemical Property:

• PSA: 82.98000
• LogP: 3.31980
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 264.04563003
• Heavy Atom Count: 18
• Complexity: 367

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Methylbenzenesulfonyl)benzene-1,4-diol 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1O)S(=O)(=O)C2=CC=CC=C2)O

Technology Process of 5-Methyl-2-(phenylsulfonyl)hydroquinone

There total 20 articles about 5-Methyl-2-(phenylsulfonyl)hydroquinone 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: 97.0%

sodium 4-methylbenzenesulfinate (824-79-3) + hydroquinone (123-31-9,8027-02-9) → 2-(4-methylphenylsulfonyl)-1,4-hydroquinone (30958-16-8)

Guidance literature:

With hydrogenchloride; [bis(acetoxy)iodo]benzene; In water; at 20 ℃; for 0.0833333h; Reagent/catalyst;

DOI:10.1039/d0nj05285j

Reference yield: 95.0%

p-toluene sulfinic acid (536-57-2) + p-benzoquinone (106-51-4) → 2-(4-methylphenylsulfonyl)-1,4-hydroquinone (30958-16-8)

Guidance literature:

With 1-butyl-3-methylimidazolium Tetrafluoroborate; at 20 ℃; for 0.5h;

DOI:10.1055/s-2004-829145

Reference yield: 91.0%

2-(toluene-4-sulfonyl)-[1,4]benzoquinone → 2-(4-methylphenylsulfonyl)-1,4-hydroquinone (30958-16-8)

Guidance literature:

With sodium tetrahydroborate; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2014.08.023

upstream raw materials:

p-toluene sulfinic acid

p-benzoquinone

p-toluenesulfonyl iodide

hydrogenchloride

Refernces

• 1、 Meng, Lingxin,Zhang, Ruike,Guan, Yuqiu,Chen, Tian,Ding, Zhiqiang,Wang, Gongshu,Reheman, Aikebaier,Chen, Zhangpei,Hu, Jianshe. "One-pot access to sulfonylated naphthalenediols/hydroquinones from naphthols/phenols with sodium sulfinates in an aqueous medium". supporting information. p. 610 - 614. Retrieved 2021/01/25.
• 2、 Habibi, Davood,Rahimi, Abdollah,Rostami, Amin,Moradi, Sirvan. "Green and mild laccase-catalyzed aerobic oxidative coupling of benzenediol derivatives with various sodium benzenesulfinates". supporting information. p. 289 - 293. Retrieved 2017/01/03.