DI-N-OCTYL SULFONE

Base Information

• Chemical Name: DI-N-OCTYL SULFONE
• CAS No.: 7726-20-7
• Molecular Formula: C16H34O2S
• Molecular Weight: 290.511
• Hs Code.: 2904100000
• DSSTox Substance ID: DTXSID40396570
• Nikkaji Number: J436.213F
• Wikidata: Q82197345
• ChEMBL ID: CHEMBL2398217
• Mol file: 7726-20-7.mol

Synonyms:1-octylsulfonyloctane;

Chemical Property of DI-N-OCTYL SULFONE

Chemical Property:

• Vapor Pressure: 3.76E-06mmHg at 25°C
• Melting Point: 78oC
• Boiling Point: 397oC at 760 mmHg
• Flash Point: 202.1oC
• PSA: 42.52000
• Density: 0.926g/cm3
• LogP: 6.20300
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 290.22795150
• Heavy Atom Count: 19
• Complexity: 243

Purity/Quality:

98%,99%, ^*data from raw suppliers

Di-n-octyl Sulfone >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCS(=O)(=O)CCCCCCCC

Technology Process of DI-N-OCTYL SULFONE

There total 10 articles about DI-N-OCTYL SULFONE 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: 100.0%

di-n-octyl sulfide (2690-08-6) → dioctylsulfone (7726-20-7)

Guidance literature:

With potassium permanganate; copper(II) sulfate; at 20 ℃; for 0.0333333h; microwave irradiation;

DOI:10.1016/S0040-4039(01)01129-7

Reference yield: 92.0%

di-n-octyl sulfide (2690-08-6) → dioctylsulfone (7726-20-7) + octyl sulfoxide (1986-89-6)

Guidance literature:

With chlorine dioxide; In ethyl acetate; at 20 ℃; for 1h;

DOI:10.1023/A:1011348804933

Reference yield: 74.0%

n-chlorooctane (111-85-3) + octane-1-sulfonyl chloride (7795-95-1) → dioctylsulfone (7726-20-7)

Guidance literature:

octane-1-sulfonyl chloride; With magnesium; In tetrahydrofuran; at 25 ℃; for 1h; Inert atmosphere; Schlenk technique; Sonication;

n-chlorooctane; With sodium iodide; In tetrahydrofuran; dimethyl sulfoxide; at 60 ℃; for 4h; Inert atmosphere; Schlenk technique; Sonication;

DOI:10.1039/c7ob00251c

upstream raw materials:

di-n-octyl sulfide

1-bromo-octane

1-Methyl-4-[2-(octane-1-sulfonyl)-ethyl]-pyridinium; iodide

acetic acid

Downstream raw materials:

(Z)-Hexadec-8-ene

(E)-1,2-diheptylethene

oct-1-ene

1-octanesulfinic acid

Refernces

• 1、 Fu, Ying,Xu, Qin-Shan,Li, Quan-Zhou,Du, Zhengyin,Wang, Ke-Hu,Huang, Danfeng,Hu, Yulai. "Efficient synthesis of aliphatic sulfones by Mg mediated coupling reactions of sulfonyl chlorides and aliphatic halides". supporting information. p. 2841 - 2845. Retrieved 2017/04/03.
• 2、 Kon, Yoshihiro,Yokoi, Toshiyuki,Yoshioka, Masato,Uesaka, Yumiko,Kujira, Harumi,Sato, Kazuhiko,Tatsumi, Takashi. "Selective oxidation of bulky sulfides to sulfoxides over titanosilicates having an MWW structure in the presence of H2O2 under organic solvent-free conditions". supporting information. p. 4918 - 4921. Retrieved 2013/09/02.