Propionic acid, 2-methyl-2-(methylsulfonyl)-

Base Information

• Chemical Name: Propionic acid, 2-methyl-2-(methylsulfonyl)-
• CAS No.: 25841-43-4
• Molecular Formula: C5H10 O4 S
• Molecular Weight: 166.198
• European Community (EC) Number: 822-193-8
• DSSTox Substance ID: DTXSID00180497
• Wikidata: Q83051046
• Mol file: 25841-43-4.mol

Synonyms:25841-43-4;2-methanesulfonyl-2-methylpropanoic acid;Propionic acid, 2-methyl-2-(methylsulfonyl)-;2-methyl-2-(methylsulfonyl)propanoic acid;2-methyl-2-methylsulfonylpropanoic acid;BRN 1771633;2-Methyl-2-(methylsulfonyl)propionic acid;3-03-00-00601 (Beilstein Handbook Reference);SCHEMBL1621552;DTXSID00180497;AKOS008152051;2-methanesulfonyl-2-methylpropanoicacid;AT13965;2-methanesulfonyl-2-methyl-propionic acid;LS-124770;CS-0146916;FT-0703517;EN300-76205;Z991513538

Chemical Property of Propionic acid, 2-methyl-2-(methylsulfonyl)-

Chemical Property:

• Vapor Pressure: 1.39E-06mmHg at 25°C
• Boiling Point: 372.8°Cat760mmHg
• Flash Point: 179.2°C
• Density: 1.31g/cm³
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 166.02997997
• Heavy Atom Count: 10
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)O)S(=O)(=O)C

Technology Process of Propionic acid, 2-methyl-2-(methylsulfonyl)-

There total 4 articles about Propionic acid, 2-methyl-2-(methylsulfonyl)- 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: 91.0%

ethyl 2-methyl-2-(methylsulfonyl)propanoate (873673-11-1) → α-Methylsulphonyl-isobutyric acid (25841-43-4)

Guidance literature:

With lithium hydroxide monohydrate; water; In tetrahydrofuran; at 20 ℃; for 18h;

Reference yield:

methyl 2-methyl-2-methylsulfonylpropanoate (23550-42-7) → α-Methylsulphonyl-isobutyric acid (25841-43-4)

Guidance literature:

With lithium hydroxide monohydrate; In methanol; water; at 20 ℃; for 6h;

Reference yield:

α-Methylmercapto-isobutyric acid (27868-56-0) → α-Methylsulphonyl-isobutyric acid (25841-43-4)

Guidance literature:

With bromine; sodium carbonate;

upstream raw materials:

α-Methylmercapto-isobutyric acid

ethyl 2-methyl-2-(methylsulfonyl)propanoate

methyl 2-methyl-2-methylsulfonylpropanoate

Downstream raw materials:

N-[2-(4-{[4-(3-aminophenoxy)-3-chlorophenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethyl]-2-methyl-2-(methylsulfonyl)propanamide

N-[2-(4-{[3-chloro-4-(3-chlorophenoxy)phenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethyl]-2-methyl-2-(methylsulfonyl)propanamide

Refernces

• 1、 -. "Hepatitis C Virus Inhibitors". Paragraph 2319-2320. . Retrieved 2015/02/25.
• 2、 -. "Compounds which Modulate the CB2 Receptor". Page/Page column 11. . Retrieved 2008/06/13.