3,6-Dimethyl-2-[(methylsulfanyl)methyl]phenol

Base Information

• Chemical Name: 3,6-Dimethyl-2-[(methylsulfanyl)methyl]phenol
• CAS No.: 4626-23-7
• Molecular Formula: C₁₀H₁₄OS
• Molecular Weight: 182.287
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID60497795
• Wikidata: Q82347550
• Mol file: 4626-23-7.mol

Synonyms:4626-23-7;3,6-dimethyl-2-[(methylsulfanyl)methyl]phenol;SCHEMBL2046550;DTXSID60497795;FT-0610449

Chemical Property of 3,6-Dimethyl-2-[(methylsulfanyl)methyl]phenol

Chemical Property:

• Refractive Index: 1.576
• PSA: 45.53000
• LogP: 2.87200
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 182.07653624
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)C)O)CSC

Technology Process of 3,6-Dimethyl-2-[(methylsulfanyl)methyl]phenol

There total 2 articles about 3,6-Dimethyl-2-[(methylsulfanyl)methyl]phenol 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:

2,5-Dimethylphenol (95-87-4) + dimethyl sulfoxide (67-68-5,8070-53-9) → 3,6-Dimethyl-2-thiomethoxymethyl-phenol (4626-23-7)

Guidance literature:

With phosphoric acid; dicyclohexyl-carbodiimide;

DOI:10.1021/ja00976a030

Reference yield:

2,5-Dimethylphenol (95-87-4) + S,S-dimethyl-N-p-tolylsulfonylsulfimine (13150-75-9) → 3,6-Dimethyl-2-thiomethoxymethyl-phenol (4626-23-7)

Guidance literature:

DOI:10.1246/bcsj.51.2443

upstream raw materials:

2,5-Dimethylphenol

dimethyl sulfoxide

S,S-dimethyl-N-p-tolylsulfonylsulfimine