Methyl methanesulfonate

Base Information

• Chemical Name: Methyl methanesulfonate
• CAS No.: 66-27-3
• Molecular Formula: C2H6O3S
• Molecular Weight: 110.134
• Hs Code.: 2905 19 00
• European Community (EC) Number: 200-625-0
• NSC Number: 50256
• UN Number: 2922
• UNII: AT5C31J09G
• DSSTox Substance ID: DTXSID7020845
• Nikkaji Number: J2.360D
• Wikipedia: Methyl_methanesulfonate
• Wikidata: Q3077242
• NCI Thesaurus Code: C44399
• Metabolomics Workbench ID: 53965
• ChEMBL ID: CHEMBL313493
• Mol file: 66-27-3.mol

Synonyms:MMS;Methylmethanesulfonate;Methyl methanesulphonate;Methanesulphonic acid methyl ester;NSC 50256;Methylester kyseliny methansulfonove;

Chemical Property of Methyl methanesulfonate

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.424mmHg at 25°C
• Melting Point: 20 °C
• Refractive Index: n20/D 1.414(lit.)
• Boiling Point: 202.072 °C at 760 mmHg
• Flash Point: 76.011 °C
• PSA: 51.75000
• Density: 1.238 g/cm³
• LogP: 0.67320
• Storage Temp.: 2-8°C
• Solubility.: 200g/l
• Water Solubility.: 200 g/L (20 ºC)
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 110.00376522
• Heavy Atom Count: 6
• Complexity: 105
• Transport DOT Label: Corrosive Poison

Purity/Quality:

99.9% ^*data from raw suppliers

Methyl methanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 45-22-36/37/38-68
• Safety Statements: 53-26-45-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: COS(=O)(=O)C
• Recent ClinicalTrials: Splanchnic Blood Redistribution After Incretin Hormone Infusion and Obesity Surgery
• Uses: Methyl methanesulfonate is a DNA adduct that adds methyl groups to Dan at 7-guanine, 3-guanine and 3-adenine. Experimentally as mutagen, teratogen, brain carcinogen.

Technology Process of Methyl methanesulfonate

There total 27 articles about Methyl methanesulfonate 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%

methanol (67-56-1) + methanesulfonyl chloride (124-63-0) → Methyl methanesulfonate (66-27-3)

Guidance literature:

methanol; With triethylamine; In dichloromethane; at 25 ℃;

methanesulfonyl chloride; In dichloromethane; at 0 - 20 ℃;

Reference yield: 65.0%

dimethylsulfite (616-42-2) → Methyl methanesulfonate (66-27-3)

Guidance literature:

With tributyl-amine;

Reference yield: 43.0%

methanesulfonic acid (75-75-2,98527-29-8) + trimethyl orthoformate (149-73-5) → Methyl methanesulfonate (66-27-3)

Guidance literature:

for 14h; Ambient temperature;

upstream raw materials:

methanesulfonic acid

tributyl-amine

dimethylsulfite

methanol

Downstream raw materials:

Methanesulfonate₃-(4-chloro-benzoyl)-4-(4-chloro-phenyl)-4-hydroxy-1,1-dimethyl-piperidinium;

(5α-cholestan-3β-yl)-methyl ether

2-(2,4-dichlorophenyl)-5-(methylthio)-1,3,4-oxadiazole

5-(2,4-Dichloro-phenyl)-3-methyl-3H-[1,3,4]oxadiazole-2-thione

Refernces

• 1、 Mukhopadhyay, Sudip,Zerella, Mark,Bell, Alexis T.. "A high-yield, liquid-phase approach for the partial oxidation of methane to methanol using SO3 as the oxidant". . p. 1203 - 1206. Retrieved 2005.
• 2、 -. "METHOD FOR THE PRODUCTION OF ALKANE SULFONIC ACID AT SUPERACIDIC CONDITIONS". Page/Page column 12. . Retrieved 2020/10/09.
• 3、 Delaney, Ed,Jacq, Karine,Sandra, Pat,David, Frank,Taylor-Worth, Karen,Lipczynski, Andrew,Van, Reif,Elder, David P.,Facchine, Kevin L.,Golec, Simon,Oestrich, Rolf Schulte,Teasdale, Andrew,Eyley, Stephen C.. "Mechanism and processing parameters affecting the formation of methyl methanesulfonate from methanol and methanesulfonic acid: an illustrative example for sulfonate ester impurity formation". supporting information; experimental part. p. 429 - 433. Retrieved 2010/04/22.