2-(tert-Butylsulfanyl)-1,3-dimethylbenzene

Base Information

• Chemical Name: 2-(tert-Butylsulfanyl)-1,3-dimethylbenzene
• CAS No.: 16463-11-9
• Molecular Formula: C12H18S
• Molecular Weight: 194.341
• DSSTox Substance ID: DTXSID70495843
• Wikidata: Q82344225
• Mol file: 16463-11-9.mol

Synonyms:16463-11-9;tert-Butyl (2,6-dimethylphenyl) sulfide;2-tert-butylsulfanyl-1,3-dimethylbenzene;SCHEMBL3231058;DTXSID70495843;MFCD27965469;2-(tert-Butylsulfanyl)-1,3-dimethylbenzene

Chemical Property of 2-(tert-Butylsulfanyl)-1,3-dimethylbenzene

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 194.11292175
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)SC(C)(C)C

Technology Process of 2-(tert-Butylsulfanyl)-1,3-dimethylbenzene

There total 8 articles about 2-(tert-Butylsulfanyl)-1,3-dimethylbenzene 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: 99.0%

2-Bromo-m-xylene (576-22-7) + 2-methylpropan-2-thiol (75-66-1) → 2,6-dimethylphenyl 2-methyl-2-propyl sulfide (16463-11-9)

Guidance literature:

With sodium t-butanolate; palladium diacetate; In 1,4-dioxane; at 100 ℃; for 18h;

DOI:10.1016/j.tet.2004.05.044

Reference yield: 94.0%

2,6-dimethyliodobenzene (608-28-6) + 2-methylpropan-2-thiol (75-66-1) → 2,6-dimethylphenyl 2-methyl-2-propyl sulfide (16463-11-9)

Guidance literature:

With (R)-1-[(S_P)-2-(dicyclohexylphosphino)ferrocenyl]ethyldi-tert-butylphosphine; palladium diacetate; sodium t-butanolate; In 1,2-dimethoxyethane; at 110 ℃; for 8h; Inert atmosphere;

DOI:10.1021/jo802594d

Reference yield: 77.0%

2,6-dimethyl-1-chlorobenzene (6781-98-2) + 2-methylpropan-2-thiol (75-66-1) → 2,6-dimethylphenyl 2-methyl-2-propyl sulfide (16463-11-9)

Guidance literature:

With sodium t-butanolate; palladium diacetate; CyPF-t-Bu; In 1,2-dimethoxyethane; at 110 ℃; for 36h;

DOI:10.1002/chem.200600949

upstream raw materials:

2,6-dimethylbenzene-1-thiol

tert-butyl alcohol

bis(2,6-dimethylphenyl)disulfide

tert.-butyl lithium

Downstream raw materials:

tert-Butyl 2,6-xylyl sulfoxide

bis(2,6-dimethylphenyl)disulfide

Methyl trans-<(2,6-xylyl)sulfinyl>acrylate

2,6-Xylyl 2,6-xylenethiosulfinate