Trimethylsulfonium methyl sulfate

Base Information

• Chemical Name: Trimethylsulfonium methyl sulfate
• CAS No.: 2181-44-4
• Molecular Formula: C4H12O4S2
• Molecular Weight: 188.269
• Hs Code.: 29309090
• European Community (EC) Number: 627-446-4
• DSSTox Substance ID: DTXSID80375389
• Mol file: 2181-44-4.mol

Synonyms:Trimethylsulfonium methyl sulfate;2181-44-4;trimethylsulfonium methylsulfate;methyl sulfate;trimethylsulfanium;TRIMETHYLSULFONIUMMETHYLSULFATE;SCHEMBL243128;trimethylsulfanium methyl sulfate;trimethylsulphonium methylsulphate;trimethylsulfonium methyl sulphate;DTXSID80375389;trimethylsulfonium;trimethyl sulfonium methyl sulfate;ANXKZXRDXAZQJT-UHFFFAOYSA-M;trimethylsulphonium methyl-sulphate;MFCD00012205;AKOS025294919;FT-0758008;A815678;J-014300

Chemical Property of Trimethylsulfonium methyl sulfate

Chemical Property:

• Melting Point: 92-94 °C(lit.)
• PSA: 100.11000
• LogP: 0.66790
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 188.01770121
• Heavy Atom Count: 10
• Complexity: 98.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

Trimethylsulfonium methyl sulfate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: COS(=O)(=O)[O-].C[S+](C)C
• Uses: Useful reagent for the methylenation of aldehydes and ketones to form epoxides.

Technology Process of Trimethylsulfonium methyl sulfate

There total 3 articles about Trimethylsulfonium methyl sulfate 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%

dimethylsulfide (75-18-3) + dimethyl sulfate (77-78-1) → trimethylsulfonium methylsulfate (2181-44-4)

Guidance literature:

In acetonitrile; Cooling with ice;

DOI:10.1134/S1070428008120099

Reference yield: 95.6%

→ trimethylsulfonium methylsulfate (2181-44-4)

Guidance literature:

Reference yield:

→ trimethysulfonium hydrogen sulfate + trimethylsulfonium methylsulfate (2181-44-4)

Guidance literature:

upstream raw materials:

dimethylsulfide

dimethyl sulfate

Downstream raw materials:

1,1-diphenyloxirane

2-styryloxirane

2-(2-methoxyphenyl)oxirane

2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-2-cyclopropyl-oxirane

Refernces

• 1、 -. "Preparation method of medetomidine and intermediate thereof". Paragraph 0080; 0081; 0082; 0083. . Retrieved 2017/08/28.
• 2、 White, David E.,Tadross, Pamela M.,Lu, Zhe,Jacobsen, Eric N.. "A broadly applicable and practical oligomeric (salen)Co catalyst for enantioselective epoxide ring-opening reactions". supporting information. p. 4165 - 4180. Retrieved 2014/06/09.