Diisoamyl sulfoxide

Base Information

• Chemical Name: Diisoamyl sulfoxide
• CAS No.: 7726-23-0
• Molecular Formula: C10H22OS
• Molecular Weight: 190.35
• Hs Code.: 2930909090
• European Community (EC) Number: 231-775-5
• NSC Number: 163969
• DSSTox Substance ID: DTXSID80227995
• Nikkaji Number: J41.098E
• Wikidata: Q83107854
• Mol file: 7726-23-0.mol

Synonyms:Diisoamyl sulfoxide;7726-23-0;Diisopentyl sulfoxide;Isoamyl sulfoxide;ISOPENTYL SULFOXIDE;Di-iso-amyl sulfoxide;Sulfoxide, diisopentyl;Sulfoxide, di-iso-amyl;Diisoamyl sulphoxide;1-(isopentylsulfinyl)-3-methylbutane;1,1'-SULPHINYLBIS[3-METHYLBUTANE];EINECS 231-775-5;Butane, 1,1'-sulfinylbis(3-methyl-;NSC 163969;BRN 1754647;1,1'-Sulphinylbis(3-methylbutane);2-01-00-00435 (Beilstein Handbook Reference);2051-06-1;Butane, 1,1'-sulfinylbis[3-methyl-;1,1'-Sulfinylbis[3-methylbutane];di-isoamyl sulfoxide;starbld0047918;3-methyl-1-(3-methylbutylsulfinyl)butane;SCHEMBL230996;DTXSID80227995;Butane,1'-sulfinylbis[3-methyl-;NSC163969;WLN: 1Y1&2SO&2Y1&1;AKOS024332461;NSC-163969;LS-85178

Chemical Property of Diisoamyl sulfoxide

Chemical Property:

• Boiling Point: 297.5oC at 760 mmHg
• Flash Point: 133.7oC
• PSA: 36.28000
• Density: 0.933g/cm3
• LogP: 3.69300
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 190.13913649
• Heavy Atom Count: 12
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

ISOPENTYL SULFOXIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CC(C)CCS(=O)CCC(C)C

Technology Process of Diisoamyl sulfoxide

There total 7 articles about Diisoamyl 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: 86.0%

diisopentyl sulfide (544-02-5) → diisopentyl sulfoxide (7726-23-0)

Guidance literature:

With dihydrogen peroxide; acetic acid; for 12h; Ambient temperature;

Reference yield:

(3-methylbutyl)magnesium bromide (4548-78-1) → diisopentyl sulfoxide (7726-23-0)

Guidance literature:

With thionyl chloride;

Reference yield:

diisopentyl sulfide (544-02-5) + acetic acid (64-19-7,77671-22-8) → diisopentyl sulfoxide (7726-23-0)

Guidance literature:

at 60 - 80 ℃;

upstream raw materials:

tetrachloromethane

diisopentyl sulfide

N-chloroacetamide

chloroform

Downstream raw materials:

diisopentyl sulfide

i-Amyl alcohol

diisoamyl sulfone

diisoamyl disulfide

Refernces

• 1、 Maercker, Adalbert,Schuhmacher, Rudolf,Buchmeier, Willi,Lutz, Heinz Dieter. "Enantio- and Diastereoselective α-Metallation of Prochiral Sulfoxides by (+)-Menthyllithium". . p. 2489 - 2498. Retrieved 2007/10/02.