1-(But-3-ene-2-sulfonyl)-4-methylbenzene

Base Information

• Chemical Name: 1-(But-3-ene-2-sulfonyl)-4-methylbenzene
• CAS No.: 68978-36-9
• Molecular Formula: C11H14O2S
• Molecular Weight: 210.297
• DSSTox Substance ID: DTXSID00498862
• Nikkaji Number: J1.533.459B,J417.561A
• Mol file: 68978-36-9.mol

Synonyms:68978-36-9;1-(But-3-ene-2-sulfonyl)-4-methylbenzene;SCHEMBL11247407;DTXSID00498862

Chemical Property of 1-(But-3-ene-2-sulfonyl)-4-methylbenzene

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 210.07145086
• Heavy Atom Count: 14
• Complexity: 279

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(But-3-ene-2-sulfonyl)-4-methylbenzene

There total 19 articles about 1-(But-3-ene-2-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: 85.0%

1-methyl-4-(prop-2-ene-1-sulfonyl)benzene (3112-87-6) + methyl iodide (74-88-4) → p-tolyl α methylallylsulfone (68978-36-9)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

Reference yield: 75.0%

2-chloro-3-butene (563-52-0,35729-37-4) + p-toluenesulfonyl chloride (98-59-9) → p-tolyl α methylallylsulfone (68978-36-9)

Guidance literature:

With bismuth; In tetrahydrofuran; 1.) r.t., 30 min, 2.) r.t., 3.5 h;

DOI:10.1055/s-1998-1877

Reference yield: 72.0%

4-tolyl iodide (624-31-7) + 2-butenyltriethoxysilane (13436-82-3) → p-tolyl α methylallylsulfone (68978-36-9)

Guidance literature:

4-tolyl iodide; 2-butenyltriethoxysilane; With palladium(II) acetylacetonate; tetrabutyl ammonium fluoride; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; Glovebox;

With potassium pyrosulfite; at 600 ℃; Glovebox; Inert atmosphere;

In tetrahydrofuran; at 20 - 80 ℃; for 4h; regioselective reaction; Glovebox;

DOI:10.1039/c9cc06858a

upstream raw materials:

p-methylbenzenesulfenyl chloride

(E/Z)-2-buten-1-ol

but-3-en-2-yl toluene-p-sulphinate

trans-2-butenyl (+/-)-p-toluenesulfinate

Downstream raw materials:

3-methyl-3-p-tolylsulphonylocta-1,7-diene

1-methyl-1-vinyl-2-p-tolylsulphonylmethylcyclopentane

p-toluenesulfonyl-3 butene-2 ol-1

p-toluenesulfonyl-3 butene-2 al-1