2-(Methylsulfanyl)benzene-1,4-diol

Base Information

• Chemical Name: 2-(Methylsulfanyl)benzene-1,4-diol
• CAS No.: 18231-99-7
• Molecular Formula: C7H8O2S
• Molecular Weight: 156.205
• DSSTox Substance ID: DTXSID70575755
• Wikidata: Q82465172
• Mol file: 18231-99-7.mol

Synonyms:18231-99-7;SCHEMBL926861;DTXSID70575755;2,5-dihydroxyphenyl methyl sulfide;2-(Methylsulfanyl)benzene-1,4-diol

Chemical Property of 2-(Methylsulfanyl)benzene-1,4-diol

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.02450067
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=C(C=CC(=C1)O)O

Technology Process of 2-(Methylsulfanyl)benzene-1,4-diol

There total 12 articles about 2-(Methylsulfanyl)benzene-1,4-diol 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: 85.0%

2-(methylthio)-1,4-dimethoxybenzene (2570-42-5) → 1,4-dihydroxy-2-(methylthio)benzene (18231-99-7)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 5h;

DOI:10.1039/c8ob00238j

Reference yield: 47.0%

2-mercaptobenzene-1,4-diol (2889-61-4) + methyl iodide (74-88-4) → 1,4-dihydroxy-2-(methylthio)benzene (18231-99-7)

Guidance literature:

With sodium hydroxide; In isopropyl alcohol; at 60 ℃; for 3h;

DOI:10.1023/B:RJAC.0000038812.89494.22

Reference yield:

2,5-dihydroxy-1-iodobenzene (23030-43-5) → 1,4-dihydroxy-2-(methylthio)benzene (18231-99-7) + hydroquinone (123-31-9,8027-02-9)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF, 5-15 deg C, sonication, 2 h, 2.) r.t., several hours;

DOI:10.1016/0040-4039(91)80507-3

upstream raw materials:

2,5-dihydroxy-1-iodobenzene

2-bromobenzene-1,4-diol

4-amino-3-(methylthio)phenol

2-mercaptobenzene-1,4-diol

Downstream raw materials:

2-methylthio-p-benzoquinone