1-[(E)-2-iodohex-1-enyl]sulfonyl-4-methylbenzene

Base Information

• Chemical Name: 1-[(E)-2-iodohex-1-enyl]sulfonyl-4-methylbenzene
• CAS No.: 28995-75-7
• Molecular Formula: C13H17IO2S
• Molecular Weight: 364.247
• NSC Number: 140254
• DSSTox Substance ID: DTXSID00419259
• Wikidata: Q82230206
• Mol file: 28995-75-7.mol

Synonyms:NSC140254;28995-75-7;DTXSID00419259;NSC-140254

Chemical Property of 1-[(E)-2-iodohex-1-enyl]sulfonyl-4-methylbenzene

Chemical Property:

• Vapor Pressure: 4.36E-07mmHg at 25°C
• Boiling Point: 426.6°Cat760mmHg
• Flash Point: 211.8°C
• Density: 1.503g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 363.99940
• Heavy Atom Count: 17
• Complexity: 346

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=CS(=O)(=O)C1=CC=C(C=C1)C)I
• Isomeric SMILES: CCCC/C(=C\S(=O)(=O)C1=CC=C(C=C1)C)/I

Technology Process of 1-[(E)-2-iodohex-1-enyl]sulfonyl-4-methylbenzene

There total 4 articles about 1-[(E)-2-iodohex-1-enyl]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: 95.0%

sodium 4-methylbenzenesulfinate (824-79-3) + hex-1-yne (693-02-7) → (E)-1-((2-iodohex-1-en-1-yl)sulfonyl)-4-methylbenzene (28995-75-7)

Guidance literature:

With iodine; In water monomer; ethyl acetate; for 24h; Ambient temperature;

DOI:10.1246/cl.1990.1689

Reference yield: 92.0%

toluene-4-sulfonic acid hydrazide (1576-35-8) + hex-1-yne (693-02-7) → (E)-1-((2-iodohex-1-en-1-yl)sulfonyl)-4-methylbenzene (28995-75-7)

Guidance literature:

With dihydrogen peroxide; potassium iodide; In water; for 0.0333333h; Irradiation;

DOI:10.1055/a-1559-3346

Reference yield:

sodium 4-methylbenzenesulfinate (824-79-3) → (E)-1-((2-iodohex-1-en-1-yl)sulfonyl)-4-methylbenzene (28995-75-7)

Guidance literature:

Multi-step reaction with 2 steps

1: I₂

With iodine;

DOI:10.1021/jo00812a001

upstream raw materials:

p-toluenesulfonyl iodide

hex-1-yne

sodium 4-methylbenzenesulfinate

toluene-4-sulfonic acid hydrazide

Downstream raw materials:

(E)-1-p-Toluolsulfonyl-2-(2-phenylethinyl)-1-hexen

(E)-2-(1-pyrrolidinyl)-1-tosyl-1-hexene

(Z)-2-hexenyl p-tolyl sulfone

1-[((E)-Hex-2-ene)-1-sulfonyl]-4-methyl-benzene