S-methylthiodecanoate

Base Information

• Chemical Name: S-methylthiodecanoate
• CAS No.: 1680-29-1
• Molecular Formula: C11H22OS
• Molecular Weight: 202.361
• DSSTox Substance ID: DTXSID80423910
• Nikkaji Number: J720.673I
• Wikidata: Q82236241
• Mol file: 1680-29-1.mol

Synonyms:S-methylthiodecanoate;1680-29-1;Decanethioic acid S-methyl ester;SCHEMBL13636538;DTXSID80423910;ZEBQAJHDEMWJOU-UHFFFAOYSA-N

Chemical Property of S-methylthiodecanoate

Chemical Property:

• Vapor Pressure: 0.00845mmHg at 25°C
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 202.13913649
• Heavy Atom Count: 13
• Complexity: 123

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)SC

Technology Process of S-methylthiodecanoate

There total 6 articles about S-methylthiodecanoate 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:

1-decanoic acid (334-48-5) → caprinaldehyde (112-31-2) + 3‐decene (19398-37-9) + nonane (111-84-2) + decane (124-18-5) + non-1-ene (124-11-8) + 1-Decanol (112-30-1) + decylthiol (143-10-2) + 1-(methylthio)decane (22438-39-7) + 3-nonene (20063-77-8) + 1-Decene (872-05-9,17438-89-0,25189-70-2) + decyl decanoate (1654-86-0) + 2-decene (20063-97-2,20348-51-0,6816-17-7) + S-methyl decanethioate (1680-29-1) + decyl thiomethanoate + cis,trans-2-nonylene (2216-38-8)

Guidance literature:

With nickel-molybdenum sulfide; Dimethyldisulphide; C₈H₁₅N₂⁽¹⁺⁾*C₈H₁₈NO₄S₂^(1-); In n-heptane; toluene; at 339.84 ℃; under 30003 Torr; Ionic liquid;

DOI:10.1016/j.apcata.2016.12.020

Reference yield:

S-ethyl decanethioate (1680-28-0) + sodium thiomethoxide (5188-07-8) → S-methyl decanethioate (1680-29-1)

Guidance literature:

In tetrahydrofuran; at -78 ℃; for 0.5h;

DOI:10.1021/jo961194x

Reference yield:

tris(methylthio)methane (5418-86-0) + n-decanoyl chloride (112-13-0) → S-methyl decanethioate (1680-29-1) + 1,1,1-Tris-methylsulfanyl-undecan-2-one (171897-83-9)

Guidance literature:

With n-butyllithium; N-(methylthio)phthalimide; Yield given. Multistep reaction. Yields of byproduct given; 1) THF, -78 deg C, 2) THF, -78 deg C -> room temperature; room temperature, 1 h;

DOI:10.1021/jo961194x

upstream raw materials:

methylthiol

n-decanoyl chloride

tris(methylthio)methane

S-ethyl decanethioate

Downstream raw materials:

S-[2-(t-butoxycarbonyl)amino]ethyl decanethioate

Dimethyldisulphide

S-(2-methoxy)ethyl decanethioate

Refernces

• 1、 Degani, Iacopo,Dughera, Stefano,Fochi, Rita,Serra, Emanuela. "Synthesis of trimethyl α-keto trithioorthoesters and dimethyl α-keto dithioacetals by reaction of acyl chlorides, anhydrides, thiol esters, and N,N-dimethylamides with [tris(methylthio)methyl]lithium". . p. 9572 - 9577. Retrieved 2007/10/03.