Methyl 2-methyl-3-(methylthio)propionate

Base Information

• Chemical Name: Methyl 2-methyl-3-(methylthio)propionate
• CAS No.: 80986-28-3
• Molecular Formula: C6H12 O2 S
• Molecular Weight: 148.226
• European Community (EC) Number: 279-641-5
• DSSTox Substance ID: DTXSID301001678
• Nikkaji Number: J296.053B
• Mol file: 80986-28-3.mol

Synonyms:80986-28-3;Methyl 2-methyl-3-(methylthio)propionate;EINECS 279-641-5;SCHEMBL11273542;PGXGJIBNKHDXAH-UHFFFAOYSA-N;DTXSID301001678;methyl-3-methylthio-2-methylpropanoate;2-Methyl-3-(methylthio)propanoic acid methyl ester;METHYL 2-METHYL-3-(METHYLSULFANYL)PROPANOATE

Chemical Property of Methyl 2-methyl-3-(methylthio)propionate

Chemical Property:

• Vapor Pressure: 0.467mmHg at 25°C
• Boiling Point: 193.4°C at 760 mmHg
• Flash Point: 76.2°C
• PSA: 51.60000
• Density: 1.019g/cm³
• LogP: 1.15850
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 148.05580079
• Heavy Atom Count: 9
• Complexity: 93.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CSC)C(=O)OC

Technology Process of Methyl 2-methyl-3-(methylthio)propionate

There total 2 articles about Methyl 2-methyl-3-(methylthio)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:

methylthiol (74-93-1) + methacrylic acid methyl ester (80-62-6,114512-63-9,143476-91-9,25188-98-1,9011-14-7) → β-methylsulfanyl-isobutyric acid methyl ester (80986-28-3)

Guidance literature:

With sodium methylate; benzene; at 2 ℃;

DOI:10.1021/ja01202a024

Reference yield:

→ β-methylsulfanyl-isobutyric acid methyl ester (80986-28-3)

Guidance literature:

Methanthiol, Methylmethacrylat;

DOI:10.1021/jf60211a025

Reference yield:

β-methylsulfanyl-isobutyric acid methyl ester (80986-28-3) → 2-methyl-3-methylsulfanyl-propionic acid (62574-23-6)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran-water;

upstream raw materials:

methylthiol

methacrylic acid methyl ester

Downstream raw materials:

2-methyl-3-methylsulfanyl-propionic acid