1-[2-(Benzylsulfanyl)-2-methylpropane-1-sulfonyl]-4-methylbenzene

Base Information

Chemical Name:1-[2-(Benzylsulfanyl)-2-methylpropane-1-sulfonyl]-4-methylbenzene
CAS No.:89647-16-5
Molecular Formula:C18H22O2S2
Molecular Weight:334.503
Hs Code.:
DSSTox Substance ID:DTXSID20528953
Wikidata:Q82398987

Synonyms:89647-16-5;DTXSID20528953;1-[2-(Benzylsulfanyl)-2-methylpropane-1-sulfonyl]-4-methylbenzene

Suppliers and Price of 1-[2-(Benzylsulfanyl)-2-methylpropane-1-sulfonyl]-4-methylbenzene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 1-[2-(Benzylsulfanyl)-2-methylpropane-1-sulfonyl]-4-methylbenzene

Chemical Property:

XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:334.10612229
Heavy Atom Count:22
Complexity:423

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)CC(C)(C)SCC2=CC=CC=C2

Technology Process of 1-[2-(Benzylsulfanyl)-2-methylpropane-1-sulfonyl]-4-methylbenzene

There total 4 articles about 1-[2-(Benzylsulfanyl)-2-methylpropane-1-sulfonyl]-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: 84.0%

: 16192-03-3
1-methyl-4-[(2-methylprop-1-en-1-yl)sulfonyl]benzene

: 100-53-8
phenylmethanethiol

: 89647-16-5
1-(2-Benzylsulfanyl-2-methyl-propane-1-sulfonyl)-4-methyl-benzene

Guidance literature:: lithium methanolate; In tetrahydrofuran; methanol; for 5h; Ambient temperature;
DOI:10.1016/S0040-4039(00)99838-1

Reference yield:

: 14799-04-3
2-methyl-1-p-toluenesulfonyl-2-propanol

: 89647-16-5
1-(2-Benzylsulfanyl-2-methyl-propane-1-sulfonyl)-4-methyl-benzene

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) CH₃SO₂Cl, NEt₃; 2.) NEt₃ / 1.) THF, 0 deg C; 2.) 1.5 day, room temperature

2: 84 percent / 0.5M CH₃OLi / tetrahydrofuran; methanol / 5 h / Ambient temperature

With methanesulfonyl chloride; triethylamine; lithium methanolate; In tetrahydrofuran; methanol;
DOI:10.1016/S0040-4039(00)99838-1

Reference yield:

: 824-79-3
sodium 4-methylbenzenesulfinate

: 89647-16-5
1-(2-Benzylsulfanyl-2-methyl-propane-1-sulfonyl)-4-methyl-benzene

Guidance literature:: Multi-step reaction with 4 steps

1: 85 percent / aq. ethanol

2: 1.) MeMgI / 1.) Et₂O-benzene

3: 1.) CH₃SO₂Cl, NEt₃; 2.) NEt₃ / 1.) THF, 0 deg C; 2.) 1.5 day, room temperature

4: 84 percent / 0.5M CH₃OLi / tetrahydrofuran; methanol / 5 h / Ambient temperature

With methyl magnesium iodide; methanesulfonyl chloride; triethylamine; lithium methanolate; In tetrahydrofuran; methanol; ethanol;
DOI:10.1016/S0040-4039(00)99838-1