Methyl sulfate

Base Information

• Chemical Name: Methyl sulfate
• CAS No.: 75-93-4
• Deprecated CAS: 159457-40-6
• Molecular Formula: CH4 O4 S
• Molecular Weight: 112.106
• European Community (EC) Number: 200-916-2
• UNII: R24I7CLU7K
• DSSTox Substance ID: DTXSID2047983
• Nikkaji Number: J1.470B
• Wikipedia: Methyl_bisulfate
• Wikidata: Q2823290
• Metabolomics Workbench ID: 51028
• ChEMBL ID: CHEMBL3219364
• Mol file: 75-93-4.mol

Synonyms:methyl sulfate;methyl sulfate, ammonium salt;methyl sulfate, potassium salt;methyl sulfate, sodium salt;monomethyl sulfate;sodium methyl sulfate

Chemical Property of Methyl sulfate

Chemical Property:

• Appearance/Colour: liquid
• Melting Point: <-30 °C
• Refractive Index: 1.4490 (estimate)
• Boiling Point: 77 - 79 C at 2 mm Hg
• PKA: -3.35±0.15(Predicted)
• PSA: 71.98000
• Density: d415 1.45-1.47
• LogP: 0.51640
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 111.98302978
• Heavy Atom Count: 6
• Complexity: 104

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COS(=O)(=O)O

Technology Process of Methyl sulfate

There total 47 articles about 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: 94.0%

methyl nitrate (598-58-3) → methyl bisulfate (75-93-4)

Guidance literature:

With chlorosulfonic acid; at 20 ℃; for 0.5h;

DOI:10.1007/BF00954453

Reference yield: 87.5%

methane (34557-54-5,27936-85-2) → methyl bisulfate (75-93-4)

Guidance literature:

With dichlorobis(dimethylsulfoxide)platinum(II); sulfuric acid; sulfur trioxide; at 180 ℃; for 3h; under 15001.5 Torr; Autoclave;

Reference yield: 82.1%

methane (34557-54-5,27936-85-2) → methyl bisulfate (75-93-4) + carbon dioxide (124-38-9,18923-20-1) + sulfur dioxide (7446-09-5,12143-17-8,89125-89-3) + water (7732-18-5)

Guidance literature:

With fuming sulfuric acid; platinum; at 180 ℃; for 3h; under 18751.9 - 26252.6 Torr; Temperature; Pressure;

DOI:10.1016/j.jcat.2019.04.042

upstream raw materials:

methanol

methyl chlorosulfate

methane

dimethyl sulfate

Downstream raw materials:

2-(1-methyl-piperidin-2-yl)-ethanol

1,4-dimethoxy-2-butyne

Dimethyl ether

methyl chlorosulfate

Refernces

• 1、 Cheng, Jihong,Li, Zaiwei,Haught, Mark,Tang, Yongchun. "Direct methane conversion to methanol by ionic liquid-dissolved platinum catalysts". . p. 4617 - 4619. Retrieved 2006.
• 2、 Seel,Meier. "". . p. 190,193. Retrieved 1953.
• 3、 Kane, Scan M.,Leu, Ming-Taun. "Uptake of methanol vapor in sulfuric acid solutions". . p. 1411 - 1415. Retrieved 2001.
• 4、 Chen, Shu-Sen,Ess, Daniel H.,Koppaka, Anjaneyulu,Periana, Roy A.. "Theory and Experiment Demonstrate that Sb(V)-Promoted Methane C-H Activation and Functionalization Outcompete Superacid Protonolysis in Sulfuric Acid". supporting information. p. 18242 - 18250. Retrieved 2021/11/12.
• 5、 -. "Preparation method of cefpodoxime acid". Paragraph 0028. . Retrieved 2021/07/31.