1-Methyl-4-(oct-1-ene-3-sulfonyl)benzene

Base Information

• Chemical Name: 1-Methyl-4-(oct-1-ene-3-sulfonyl)benzene
• CAS No.: 79243-02-0
• Molecular Formula: C15H22O2S
• Molecular Weight: 266.404
• DSSTox Substance ID: DTXSID70508821
• Nikkaji Number: J417.563H,J3.372.921I
• Mol file: 79243-02-0.mol

Synonyms:79243-02-0;1-METHYL-4-(OCT-1-ENE-3-SULFONYL)BENZENE;DTXSID70508821

Chemical Property of 1-Methyl-4-(oct-1-ene-3-sulfonyl)benzene

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 266.13405111
• Heavy Atom Count: 18
• Complexity: 332

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: CCCCCC(C=C)S(=O)(=O)C1=CC=C(C=C1)C

Technology Process of 1-Methyl-4-(oct-1-ene-3-sulfonyl)benzene

There total 10 articles about 1-Methyl-4-(oct-1-ene-3-sulfonyl)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: 92.0%

n-octyne (629-05-0) + toluene-4-sulfonic acid hydrazide (1576-35-8) → C15H22O2S + 1-methyl-4-(oct-1-en-3-ylsulfonyl)benzene (79243-02-0) + 2-tosyl-1-octene (111895-37-5)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; benzoic acid; bis[2-(diphenylphosphino)phenyl] ether; In 1,2-dichloro-ethane; at 80 ℃; for 18h; Reagent/catalyst; Temperature; Schlenk technique; Inert atmosphere;

DOI:10.1021/ja509383r

Reference yield: 76.0%

amyl iodide (628-17-1) + 1-methyl-4-(prop-2-ene-1-sulfonyl)benzene (3112-87-6) → 1-methyl-4-(oct-1-en-3-ylsulfonyl)benzene (79243-02-0)

Guidance literature:

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

Reference yield: 68.0%

n-octyne (629-05-0) + toluene-4-sulfonic acid hydrazide (1576-35-8) → 1-methyl-4-(oct-1-en-3-ylsulfonyl)benzene (79243-02-0)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; C₃₄H₄₄O₂P₂; benzoic acid; In 1,2-dichloro-ethane; at 80 ℃; for 18h; Reagent/catalyst; regioselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1021/ja509383r

upstream raw materials:

amyl iodide

1-methyl-4-(prop-2-ene-1-sulfonyl)benzene

(Z)-2-octenyl p-toluenesulfinate

(E)-2-octenyl p-toluenesulfinate

Downstream raw materials:

1-methyl-4-(oct-1-en-3-ylsulfonyl)benzene

1-methyl-4-(oct-1-en-3-ylsulfonyl)benzene