2,3,6-Trimethyl-4-sulfanylphenol

Base Information

• Chemical Name: 2,3,6-Trimethyl-4-sulfanylphenol
• CAS No.: 85460-73-7
• Molecular Formula: C9H12OS
• Molecular Weight: 168.26
• DSSTox Substance ID: DTXSID50577131
• Wikidata: Q82467059
• Mol file: 85460-73-7.mol

Synonyms:85460-73-7;Phenol, 4-mercapto-2,3,6-trimethyl-;2,3,6-Trimethyl-4-sulfanylphenol;4-MERCAPTO-2,3,6-TRIMETHYLPHENOL;SCHEMBL2143456;DTXSID50577131;YNTNDVQUUYCQRA-UHFFFAOYSA-N;4-mercapto-2,3,6-trimethyl-phenol;AKOS006276983;2,3,5-trimethyl-4-hydroxybenzenethiol

Chemical Property of 2,3,6-Trimethyl-4-sulfanylphenol

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 168.06088618
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3,6-Trimethyl-4-sulfanylphenol

There total 3 articles about 2,3,6-Trimethyl-4-sulfanylphenol 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: 90.0%

2,3,5-trimethyl-4-hydroxyphenyl thiocyanate (101836-20-8) → 2,3,5-trimethyl-4-hydroxy-benzenethiol (85460-73-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; at 20 ℃; for 5h;

Reference yield:

o-methoxycarbonyl-2,3,6-trimethylphenol-4-sulfonyl chloride (85460-77-1) → 2,3,5-trimethyl-4-hydroxy-benzenethiol (85460-73-7) + di(2,3,6-trimethyl-4-hydroxyphenyl) disulfide (85460-74-8)

Guidance literature:

With hydrogenchloride; zinc; In ethanol; Yield given; Heating;

Reference yield:

→ 2,3,5-trimethyl-4-hydroxy-benzenethiol (85460-73-7)

Guidance literature:

With hydrogenchloride; zinc; zuletzt Behandeln auf dem Dampfbad und Kochen des Reaktionsprodukts mit wss. NaOH;

DOI:10.1002/hlca.19440270187

upstream raw materials:

o-methoxycarbonyl-2,3,6-trimethylphenol-4-sulfonyl chloride

2,3,5-trimethyl-4-hydroxyphenyl thiocyanate

Downstream raw materials:

α-thiotocopherol acetate

3-(4-Hydroxy-2,3,5-trimethyl-phenylsulfanyl)-butyric acid methyl ester

di(2,3,6-trimethyl-4-hydroxyphenyl) disulfide

2-(4-Hydroxy-2,3,5-trimethyl-phenylsulfanyl)-2-methyl-succinic acid dimethyl ester