1-[(2-Methylphenyl)sulfanyl]propan-2-one

Base Information

• Chemical Name: 1-[(2-Methylphenyl)sulfanyl]propan-2-one
• CAS No.: 112091-20-0
• Molecular Formula: C₁₀H₁₂OS
• Molecular Weight: 180.271
• DSSTox Substance ID: DTXSID801290103

Synonyms:1-[(2-METHYLPHENYL)SULFANYL]PROPAN-2-ONE;112091-20-0;1-(O-tolylthio)propan-2-one;DTXSID801290103;1-[(2-Methylphenyl)thio]-2-propanone;CS-0276244;EN300-394833

Chemical Property of 1-[(2-Methylphenyl)sulfanyl]propan-2-one

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 180.06088618
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1SCC(=O)C

Technology Process of 1-[(2-Methylphenyl)sulfanyl]propan-2-one

There total 6 articles about 1-[(2-Methylphenyl)sulfanyl]propan-2-one 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: 74.0%

bis(2-methylphenyl)disulfide (4032-80-8) + acetone (67-64-1) → 1-((2-chlorophenyl)thio)propan-2-one (112091-20-0)

Guidance literature:

With tert.-butylhydroperoxide; di-tert-butyl peroxide; at 120 ℃; for 24h;

DOI:10.1016/j.tetlet.2015.05.059

Reference yield: 62.0%

2,2,6,6-Tetramethyl-1-piperidinyloxy free radical (2564-83-2,45842-10-2,126517-51-9,25657-03-8,26933-82-4,54637-06-8,64104-42-3) + 2-thiocresol (137-06-4) → 1-((2-chlorophenyl)thio)propan-2-one (112091-20-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl acetamide; at 150 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c9ob00018f

Reference yield:

chloroacetone (78-95-5) → 1-((2-chlorophenyl)thio)propan-2-one (112091-20-0)

Guidance literature:

With toluene; at 100 ℃;

DOI:10.1021/ja01193a031

upstream raw materials:

1-bromoacetone

2-thiocresol

chloroacetone

bis(2-methylphenyl)disulfide

Downstream raw materials:

3,7-dimethylbenzothiophene

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