Methyl 6,8-bis(sulfanyl)octanoate

Base Information Edit

Chemical Name:Methyl 6,8-bis(sulfanyl)octanoate
CAS No.:50628-93-8
Molecular Formula:C9H18 O2 S2
Molecular Weight:222.37
Hs Code.:2930909090
DSSTox Substance ID:DTXSID80875839
Nikkaji Number:J1.034.383F
Mol file:50628-93-8.mol

Synonyms:dihydrolipoic acid methyl ester;reduced lipoic acid methyl ester

Suppliers and Price of Methyl 6,8-bis(sulfanyl)octanoate

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Methyl 6,8-bis(sulfanyl)octanoate Edit

Chemical Property:

Vapor Pressure:0.000823mmHg at 25°C
Boiling Point:305.4°C at 760 mmHg
Flash Point:181.3°C
PSA：103.90000
Density:1.063g/cm³
LogP:2.33810
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:222.07482216
Heavy Atom Count:13
Complexity:140

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)CCCCC(CCS)S

Technology Process of Methyl 6,8-bis(sulfanyl)octanoate

There total 7 articles about Methyl 6,8-bis(sulfanyl)octanoate 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%

: 46236-19-5
1,2-dithiolane-3-pentanoic acid methyl ester

: 50628-93-8
6,8-dimercaptooctanoic acid methyl ester

Guidance literature:: With sodium tetrahydroborate; In methanol; at 20 ℃; for 1h;
DOI:10.1055/s-0031-1289602

Reference yield:

: 41324-23-6
methyl 6-oxooct-7-enoate

: 50628-93-8
6,8-dimercaptooctanoic acid methyl ester

Guidance literature:: With cobalt polysulfide; sulfur; at 150 ℃; under 66195.7 Torr; Hydrogenation_.beim Erwaermen des Reaktionsprodukts mit Methanol und wenig Schwefelsaeure;
DOI:10.1021/ja01565a059

Reference yield:

: 100053-64-3
8-acetylsulfanyl-6-oxo-octanoic acid methyl ester

: 50628-93-8
6,8-dimercaptooctanoic acid methyl ester

Guidance literature:: With cobalt polysulfide; sulfur; at 160 ℃; under 55163.1 Torr; Hydrogenation_.beim Erwaermen des Reaktionsprodukts mit Chlorwasserstoff enthaltendem Methanol;
DOI:10.1021/ja01565a059