Methyl 3-(methylsulfonyl)propanoate

Base Information

• Chemical Name: Methyl 3-(methylsulfonyl)propanoate
• CAS No.: 89211-37-0
• Molecular Formula: C5H10O4S
• Molecular Weight: 166.1955
• DSSTox Substance ID: DTXSID40237575
• Nikkaji Number: J698.621H
• Wikidata: Q83119765

Synonyms:Methyl 3-(methylsulfonyl)propanoate;89211-37-0;methyl 3-methylsulfonylpropanoate;3-(Methylsulfonyl)propionic acid methyl ester;Propionic acid, 3-(methylsulfonyl)-, methyl ester;BRN 1771655;3-03-00-00554 (Beilstein Handbook Reference);SCHEMBL1968935;DTXSID40237575;GQHBXCVAMSARRD-UHFFFAOYSA-N;methyl 3-methanesulphonylpropionate;Methyl3-(methylsulfonyl)propanoate;LS-124795;3-(Methylsulfonyl)propanoic acid methyl ester

Chemical Property of Methyl 3-(methylsulfonyl)propanoate

Chemical Property:

• Vapor Pressure: 0.000372mmHg at 25°C
• Boiling Point: 318°Cat760mmHg
• Flash Point: 146.1°C
• Density: 1.225g/cm³
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 166.02997997
• Heavy Atom Count: 10
• Complexity: 198

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCS(=O)(=O)C

Technology Process of Methyl 3-(methylsulfonyl)propanoate

There total 2 articles about Methyl 3-(methylsulfonyl)propanoate 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%

methyl 3-(methylthio)propionate (13532-18-8) → 3-methanesulfonyl-propionic acid methyl ester (89211-37-0)

Guidance literature:

With sodium tungstate (VI) dihydrate; dihydrogen peroxide; In methanol; water; at 40 ℃;

DOI:10.1039/b912521n

Reference yield:

methyl 3-(methylthio)propionate (13532-18-8) → 3-(methylsulfonyl)propanoic acid (645-83-0) + 3-methanesulfonyl-propionic acid methyl ester (89211-37-0)

Guidance literature:

With aminosulfonic acid; dihydrogen peroxide; In water; at 80 ℃; for 0.5h;

Reference yield:

7-benzyl-8-(tert.-butyl)-1-n-propyl-xanthine (247087-61-2) + 3-methanesulfonyl-propionic acid methyl ester (89211-37-0) → 7-benzyl-8-(tert.-butyl)-3-(2-methoxycarbonylethyl)-1-n-propyl-xanthine

Guidance literature:

With potassium carbonate; In N-methyl-acetamide; dichloromethane;

upstream raw materials:

methyl 3-(methylthio)propionate

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