3-(Methylsulfonyl)propyl methanesulfonate

Base Information

• Chemical Name: 3-(Methylsulfonyl)propyl methanesulfonate
• CAS No.: 357913-53-2
• Molecular Formula: C5H12O5S2
• Molecular Weight: 216.279
• DSSTox Substance ID: DTXSID60437530
• Wikidata: Q82253047
• Mol file: 357913-53-2.mol

Synonyms:3-(methylsulfonyl)propyl methanesulfonate;357913-53-2;3-methylsulfonylpropyl methanesulfonate;3-(Methylsulfonyl)propyl (Methanesulfonate);methanesulfonic acid 3-methanesulfonyl-propyl ester;SCHEMBL223147;DTXSID60437530;BZQGPGKJLOOSFU-UHFFFAOYSA-N;CS-M0565;MFCD18642728;3-(methylsulfonyl)propylmethanesulfonate;DS-17320;FT-0746743;W11823;A913622

Chemical Property of 3-(Methylsulfonyl)propyl methanesulfonate

Chemical Property:

• Boiling Point: 470.0±28.0 °C(Predicted)
• PSA: 94.27000
• Density: 1.356±0.06 g/cm3(Predicted)
• LogP: 1.55890
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 216.01261583
• Heavy Atom Count: 12
• Complexity: 301

Purity/Quality:

≥95% ^*data from raw suppliers

3-(methylsulfonyl)propylmethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)CCCOS(=O)(=O)C

Technology Process of 3-(Methylsulfonyl)propyl methanesulfonate

There total 3 articles about 3-(Methylsulfonyl)propyl 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:

3-(methylsulfonyl)propan-1-ol (2058-49-3) + methanesulfonyl chloride (124-63-0) → methanesulfonic acid 3-methanesulfonyl-propyl ester (357913-53-2)

Guidance literature:

With triethylamine; In dichloromethane; at 5 - 10 ℃;

DOI:10.1021/jm00011a020

Reference yield:

3-(methylthio)propyl methanesulfonate (232944-38-6) → methanesulfonic acid 3-methanesulfonyl-propyl ester (357913-53-2)

Guidance literature:

With potassium permanganate; sulfuric acid; In chloroform; for 48h; Yield given; Ambient temperature;

DOI:10.1071/C98141

Reference yield:

→ methanesulfonic acid 3-methanesulfonyl-propyl ester (357913-53-2)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 16h;

upstream raw materials:

3-(methylsulfonyl)propan-1-ol

methanesulfonyl chloride

3-(methylthio)propyl methanesulfonate

Downstream raw materials:

5-bromo-1,3-difluoro-2-(3-methanesulfonylpropoxy)benzene

1-({4-(4-Chlorophenyl)-5-(2,4-dichlorophenyl)-3-[3-(methylsulfonyl)propoxy]thien-2-yl}carbonyl)-4-phenylpiperidine-4-carboxamide

2-methoxy-4-(3-(methylsulfonyl)propoxy)-1-nitrobenzene

Refernces

• 1、 -. "Novel benzoxazolone compound". Paragraph 0236; 0238. . Retrieved 2017/04/27.
• 2、 -. "SPIROINDOLINONE PYRROLIDINES". Page/Page column 77. . Retrieved 2011/06/23.