Methyl Methanesulfonylacetate

Base Information

• Chemical Name: Methyl Methanesulfonylacetate
• CAS No.: 62020-09-1
• Molecular Formula: C4H8O4S
• Molecular Weight: 152.171
• Hs Code.: 2915900090
• European Community (EC) Number: 805-598-4
• DSSTox Substance ID: DTXSID10374961
• Nikkaji Number: J2.639.324H
• Wikidata: Q82163520
• Mol file: 62020-09-1.mol

Synonyms:Methyl Methanesulfonylacetate;62020-09-1;methyl 2-(methylsulfonyl)acetate;methyl 2-methylsulfonylacetate;methyl 2-methanesulfonylacetate;methyl methylsulfonylacetate;MFCD00051842;Methanesulfonylacetic Acid Methyl Ester;(Methanesulfonyl)acetic acid methyl ester;Acetic acid, (methylsulfonyl)-, methyl ester;Methyl methanesulphonylacetate;SCHEMBL1968530;DTXSID10374961;AC8028;AM1105;2-(methylsulfonyl)-1-methoxyethanone;Methylsulfonylacetic acid methyl ester;AKOS005089403;CS-W016301;SY049864;Aceticacid,2-(methylsulfonyl)-,methyl ester;FT-0628752;M1332;EN300-173983;Acetic acid, 2-(methylsulfonyl)-, methyl ester;3R-0841;F9995-2664

Chemical Property of Methyl Methanesulfonylacetate

Chemical Property:

• Appearance/Colour: crystalline powder
• Vapor Pressure: 0.00145mmHg at 25°C
• Melting Point: 62 °C
• Refractive Index: 1.437
• Boiling Point: 296.3 °C at 760 mmHg
• Flash Point: 133 °C
• PSA: 68.82000
• Density: 1.277 g/cm³
• LogP: 0.28480
• Storage Temp.: 2-8°C
• Water Solubility.: Soluble in methanol. Insoluble in water.
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 152.01432991
• Heavy Atom Count: 9
• Complexity: 185

Purity/Quality:

98% ^*data from raw suppliers

Methyl Methanesulfonylacetate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CS(=O)(=O)C
• Uses: Methyl methylsulfonylacetate is used as an active pharmaceutical ingredient.

Technology Process of Methyl Methanesulfonylacetate

There total 4 articles about Methyl Methanesulfonylacetate 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: 76.0%

sodium methansulfinate (20277-69-4) + methyl chloroacetate (96-34-4) → Methyl α-(methylsulfonyl)acetate (62020-09-1)

Guidance literature:

In ethanol; for 18h; Heating;

DOI:10.1021/jo01296a028

Reference yield:

bromoacetic acid methyl ester (96-32-2) + sodium thiomethoxide (5188-07-8) → Methyl α-(methylsulfonyl)acetate (62020-09-1)

Guidance literature:

Multistep reaction; (i) NaOMe, MeOH, (ii) aq. H2O2, 2MoO4;

DOI:10.1021/jm00214a016

Reference yield:

methanol (67-56-1) + methanesulfonyl-acetonitrile (2274-42-2) → Methyl α-(methylsulfonyl)acetate (62020-09-1)

Guidance literature:

With hydrogenchloride; water; Yield given. Multistep reaction; 1.) RT; 2.) 7 h, reflux;

upstream raw materials:

bromoacetic acid methyl ester

sodium thiomethoxide

sodium methansulfinate

methyl chloroacetate

Downstream raw materials:

6-dehydroprogesterone

(3,20-Dioxo-4-pregnen-6β-yl)(methylsulfonyl)essigsaeure-methylester

(3,20-Dioxo-4-pregnen-6β-yl)(methylsulfonyl)essigsaeure-methylester

1-(1'-Methyl-2'-carbomethoxy-2'-methylsulfonylethyl)-cyclohexen

Refernces

• 1、 Gipstein, E.,Willson, C. G.,Sachdev, H. S.. "Synthesis and Polymerization of Alkyl α-(Alkylsulfonyl)acrylates". . p. 1486 - 1489. Retrieved 2007/10/02.