4-[2-(Methylsulfanyl)ethyl]benzene-1,2-diol

Base Information

Chemical Name:4-[2-(Methylsulfanyl)ethyl]benzene-1,2-diol
CAS No.:104693-03-0
Molecular Formula:C9H12O2S
Molecular Weight:184.259
Hs Code.:
ChEMBL ID:CHEMBL68911
DSSTox Substance ID:DTXSID30547514
Wikidata:Q82425784
Mol file:104693-03-0.mol

Synonyms:104693-03-0;4-[2-(Methylsulfanyl)ethyl]benzene-1,2-diol;CHEMBL68911;DTXSID30547514

Suppliers and Price of 4-[2-(Methylsulfanyl)ethyl]benzene-1,2-diol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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

Chemical Property:

XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:184.05580079
Heavy Atom Count:12
Complexity:130

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSCCC1=CC(=C(C=C1)O)O

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

There total 2 articles about 4-[2-(Methylsulfanyl)ethyl]benzene-1,2-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: 72.0%

: 104692-98-0
3',4'-dihydroxy-2-(methylthio)acetophenone

: 104693-03-0
1-(3,4-dihydroxyphenyl)-2-(methylthio)ethane

Guidance literature:: With triethylsilane; trifluoroacetic acid; In dichloromethane; for 7h; Ambient temperature;
DOI:10.1021/jm00384a038

Reference yield:

: 99-40-1
2-chloro-3',4'-dihydroxyacetophenone

: 104693-03-0
1-(3,4-dihydroxyphenyl)-2-(methylthio)ethane

Guidance literature:: Multi-step reaction with 2 steps

1: 77 percent / KOH / methanol / 2 h / Ambient temperature

2: 72 percent / CF₃COOH, Et₃SiH / CH₂Cl₂ / 7 h / Ambient temperature

With triethylsilane; potassium hydroxide; trifluoroacetic acid; In methanol; dichloromethane;
DOI:10.1021/jm00384a038