1-[1,1-Bis(ethylthio)ethyl]-4-methylbenzene

Base Information

• Chemical Name: 1-[1,1-Bis(ethylthio)ethyl]-4-methylbenzene
• CAS No.: 85199-48-0
• Molecular Formula: C13H20S2
• Molecular Weight: 240.434
• DSSTox Substance ID: DTXSID501261216

Synonyms:DTXSID501261216;1-[1,1-Bis(ethylthio)ethyl]-4-methylbenzene;85199-48-0

Chemical Property of 1-[1,1-Bis(ethylthio)ethyl]-4-methylbenzene

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 240.10064299
• Heavy Atom Count: 15
• Complexity: 165

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCSC(C)(C1=CC=C(C=C1)C)SCC

Technology Process of 1-[1,1-Bis(ethylthio)ethyl]-4-methylbenzene

There total 1 articles about 1-[1,1-Bis(ethylthio)ethyl]-4-methylbenzene 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: 60.0%

2-nitro-1-(p-tolyl)ethan-1-one (62968-73-4) + ethanethiol (75-08-1) → 1-(1,1-Bis-ethylsulfanyl-ethyl)-4-methyl-benzene (85199-48-0)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 8h; Ambient temperature;

DOI:10.1016/S0040-4039(00)88692-X

Reference yield: 70.0%

trimethylsilyl cyanide (7677-24-9) + 1-(1,1-Bis-ethylsulfanyl-ethyl)-4-methyl-benzene (85199-48-0) → 2-Ethylsulfanyl-2-p-tolyl-propionitrile (93338-70-6)

Guidance literature:

With tin(IV) chloride; In dichloromethane; at -20 ℃; for 2h;

DOI:10.1016/S0040-4039(01)81369-1

upstream raw materials:

2-nitro-1-(p-tolyl)ethan-1-one

ethanethiol

Downstream raw materials:

2-Ethylsulfanyl-2-p-tolyl-propionitrile

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