1,3,5-Tri-tert-butyl-2-[(tert-butylsulfanyl)methyl]benzene

Base Information

• Chemical Name: 1,3,5-Tri-tert-butyl-2-[(tert-butylsulfanyl)methyl]benzene
• CAS No.: 89738-81-8
• Molecular Formula: C₂₃H₄₀S
• Molecular Weight: 348.637
• DSSTox Substance ID: DTXSID10520502
• Wikidata: Q82384438

Synonyms:89738-81-8;DTXSID10520502;1,3,5-Tri-tert-butyl-2-[(tert-butylsulfanyl)methyl]benzene

Chemical Property of 1,3,5-Tri-tert-butyl-2-[(tert-butylsulfanyl)methyl]benzene

Chemical Property:

• XLogP3: 8.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 348.28507245
• Heavy Atom Count: 24
• Complexity: 370

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)CSC(C)(C)C)C(C)(C)C

Technology Process of 1,3,5-Tri-tert-butyl-2-[(tert-butylsulfanyl)methyl]benzene

There total 8 articles about 1,3,5-Tri-tert-butyl-2-[(tert-butylsulfanyl)methyl]benzene 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: 31.0%

tert-butylmagnesium chloride (677-22-5) + 2,4,6-tri-(tert-butyl)thiobenzaldehyde (84543-57-7) → 3,5-tri-t-butyl-2-(t-butylthiomethyl)benzene (89738-81-8) + 1,3,5-Tri-tert-butyl-2-(1-tert-butylsulfanyl-2,2-dimethyl-propyl)-benzene (89738-82-9) + 1,2-Bis-(2,4,6-tri-tert-butyl-phenyl)-ethane-1,2-dithiol (89738-83-0)

Guidance literature:

In diethyl ether; at 0 ℃; Product distribution; Mechanism; first example of dimerization of thioketyl radicals;

DOI:10.1246/cl.1984.101

Reference yield: 23.0%

tert.-butyl lithium (594-19-4) + 2,4,6-tri-(tert-butyl)thiobenzaldehyde (84543-57-7) → 3,5-tri-t-butyl-2-(t-butylthiomethyl)benzene (89738-81-8) + 1,3,5-Tri-tert-butyl-2-(1-tert-butylsulfanyl-2,2-dimethyl-propyl)-benzene (89738-82-9) + 2,2-Dimethyl-1-(2,4,6-tri-tert-butyl-phenyl)-propane-1-thiol + 1,2-Bis-(2,4,6-tri-tert-butyl-phenyl)-ethane-1,2-dithiol (89738-83-0)

Guidance literature:

Further byproducts given;

Reference yield: 20.3%

2,4,6-tri-(tert-butyl)thiobenzaldehyde (84543-57-7) + Bis-(2,2-dimethyl-propyl)-diazene → 6,8-di-tert-butyl-3,4-dihydro-4,4-dimethyl-1H-2-benzothiine (89751-90-6) + 3,5-tri-t-butyl-2-(t-butylthiomethyl)benzene (89738-81-8) + t-butyl-2,2-dimethyl-1-(1,3,5-tri-t-butylbicyclo<2.2.0>hexa-2,5-dien-2-yl)propyl sulfide (92635-34-2)

Guidance literature:

In benzene; at 10 ℃; for 3h; Irradiation;

DOI:10.1246/bcsj.69.709

upstream raw materials:

tert.-butyl lithium

2,4,6-tri-(tert-butyl)thiobenzaldehyde

tert-butylmagnesium chloride

1-bromo-2,4,6-tri-tert-butylbenzene

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 89738-81-8 Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-[[(1,1-dimethylethyl)thio]methyl]-

Send

Send

Metric Ton KG G Pound L ML

Send

Send