4-Methyl-2-[(3-methylphenyl)sulfanyl]cyclohexan-1-one

Base Information

• Chemical Name: 4-Methyl-2-[(3-methylphenyl)sulfanyl]cyclohexan-1-one
• CAS No.: 89816-48-8
• Molecular Formula: C14H18OS
• Molecular Weight: 234.362
• DSSTox Substance ID: DTXSID60523780

Synonyms:89816-48-8;4-Methyl-2-[(3-methylphenyl)sulfanyl]cyclohexan-1-one;DTXSID60523780

Chemical Property of 4-Methyl-2-[(3-methylphenyl)sulfanyl]cyclohexan-1-one

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 234.10783637
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(=O)C(C1)SC2=CC=CC(=C2)C

Technology Process of 4-Methyl-2-[(3-methylphenyl)sulfanyl]cyclohexan-1-one

There total 1 articles about 4-Methyl-2-[(3-methylphenyl)sulfanyl]cyclohexan-1-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: 85.0%

toluene-3-thiol (108-40-7) + 2-bromo-4-methylcyclohexanone (27579-55-1) → 2-(m-tolylthio)-4-methylcyclohexanone (89816-48-8)

Guidance literature:

With sodium hydroxide; In ethanol; r.t., 30min., then reflux, 4h;

Reference yield:

2-(m-tolylthio)-4-methylcyclohexanone (89816-48-8) → 3,7-dimethyldibenzo[b,d]thiophene (1136-85-2) + 1,7-dimethyl-dibenzothiophene (89816-53-5)

Guidance literature:

With selenium; PPA; Yield given. Multistep reaction. Yields of byproduct given; 1. 190-200 degC, 1.5h; 2. 300 degC, 8h;

upstream raw materials:

toluene-3-thiol

2-bromo-4-methylcyclohexanone

Downstream raw materials:

3,7-dimethyldibenzo[b,d]thiophene

1,7-dimethyl-dibenzothiophene

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