Heptyl sulfoxide

Base Information

• Chemical Name: Heptyl sulfoxide
• CAS No.: 25355-20-8
• Molecular Formula: C14H30 O S
• Molecular Weight: 246.458
• Hs Code.: 2930909090
• European Community (EC) Number: 246-886-4
• NSC Number: 400539
• UNII: 4VHA74FZP4
• DSSTox Substance ID: DTXSID30180001
• Nikkaji Number: J250.436G
• Wikidata: Q83050499
• Mol file: 25355-20-8.mol

Synonyms:Heptyl sulfoxide;25355-20-8;1-heptylsulfinylheptane;diheptyl sulfoxide;1,1'-Sulfinylbisheptane;1,1'-Sulphinylbisheptane;EINECS 246-886-4;NSC-400539;NSC400539;1-(heptylsulfinyl)heptane;4VHA74FZP4;Heptane, 1,1'-sulfinylbis-;SCHEMBL3151593;DTXSID30180001;NSC 400539;FT-0708314

Chemical Property of Heptyl sulfoxide

Chemical Property:

• Boiling Point: 371oC at 760 mmHg
• Flash Point: 178.2oC
• PSA: 36.28000
• Density: 0.915g/cm3
• LogP: 5.54160
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 246.20173675
• Heavy Atom Count: 16
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCS(=O)CCCCCCC

Technology Process of Heptyl sulfoxide

There total 2 articles about Heptyl sulfoxide 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: 98.0%

diheptyl sulfide (629-65-2) → di-n-heptyl sulfoxide (25355-20-8)

Guidance literature:

With sodium hydroxide; benzyltrimethylazanium tribroman-2-uide; In dichloromethane; water; for 1.5h; Ambient temperature;

DOI:10.1246/bcsj.62.3376

Reference yield:

diheptyl sulfide (629-65-2) → diheptyl sulfone (16891-95-5) + di-n-heptyl sulfoxide (25355-20-8)

Guidance literature:

Reference yield: 63.0%

uranyl(VI) nitrate + 1-Phenyl-3-methyl-4-acetyl-5-pyrazolon (4173-74-4) + di-n-heptyl sulfoxide (25355-20-8) → UO2(C6H5NNCCH3CCOCH3CO)2(C7H15)2SO

Guidance literature:

In water; benzene; UO2(NO3)2 soln. at pH 2 extd. with benzene soln. of PMAP and DSSO; benzene layer dried with Na2SO4, evapd. dryness in rotary evaporator and product recrystd. twice from n-hexane; elem. anal.;

DOI:10.1016/S0277-5387(00)81103-1

upstream raw materials:

diheptyl sulfide

Downstream raw materials:

heptane-1-sulfonic acid

Refernces

• 1、 Shereshovets, V. V.,Komissarov, V. D.,Shafikov, N. Ya.,Bachanova, L. A.,Kolosnitsin, V. S.,et al.. "OXIDATION OF SULFIDES TO SULFOXIDES BY ORGANIC HYDROTRIOXIDES". . p. 207. Retrieved 2007/10/02.