Methyl 3-(laurylthio)propionate

Base Information

• Chemical Name: Methyl 3-(laurylthio)propionate
• CAS No.: 19759-75-2
• Molecular Formula: C16H32 O2 S
• Molecular Weight: 288.495
• European Community (EC) Number: 243-274-9
• DSSTox Substance ID: DTXSID6066525
• Nikkaji Number: J26.227G
• Wikidata: Q81993105
• Mol file: 19759-75-2.mol

Synonyms:Methyl 3-(laurylthio)propionate;Methyl 3-dodecylthiopropanoate;Methyl 3-(dodecylthio)propionate;19759-75-2;methyl 3-dodecylsulfanylpropanoate;EINECS 243-274-9;Propanoic acid, 3-(dodecylthio)-, methyl ester;SCHEMBL268172;DTXSID6066525;3-(Dodecylthio)propionic acid methyl ester;3-(n-dodecylthio)-propanoic acid, methyl ester

Chemical Property of Methyl 3-(laurylthio)propionate

Chemical Property:

• Vapor Pressure: 8.37E-06mmHg at 25°C
• Boiling Point: 374.4°Cat760mmHg
• Flash Point: 162.6°C
• PSA: 51.60000
• Density: 0.93g/cm³
• LogP: 5.20360
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 288.21230143
• Heavy Atom Count: 19
• Complexity: 195

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCSCCC(=O)OC

Technology Process of Methyl 3-(laurylthio)propionate

There total 4 articles about Methyl 3-(laurylthio)propionate 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: 82.0%

didodecyl disulfide (2757-37-1) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → 3-(n-dodecylthio)-propanoic acid,methyl ester (19759-75-2)

Guidance literature:

didodecyl disulfide; With sodium tetrahydroborate; at 20 ℃; for 0.666667h; Inert atmosphere;

acrylic acid methyl ester; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.08.101

Reference yield: 75.0%

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + 1-dodecylthiol (112-55-0) → 3-(n-dodecylthio)-propanoic acid,methyl ester (19759-75-2)

Guidance literature:

With borax; In water; at 20 ℃; for 3h;

DOI:10.1002/ejoc.200600691

Reference yield:

triton B (benzyltrimethyl ammonium hydroxide) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + 1-dodecylthiol (112-55-0) → 3-(n-dodecylthio)-propanoic acid,methyl ester (19759-75-2)

Guidance literature:

upstream raw materials:

acrylic acid methyl ester

1-dodecylthiol

didodecyl disulfide

Downstream raw materials:

pentaerythritol tetrakis(β-dodecylmercapto)propionate

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