2-(Methylsulphonyl)propane

Base Information

• Chemical Name: 2-(Methylsulphonyl)propane
• CAS No.: 4853-74-1
• Molecular Formula: C4H10O2S
• Molecular Weight: 122.19
• Hs Code.: 2904100000
• DSSTox Substance ID: DTXSID80197548
• Nikkaji Number: J43.512K
• Wikidata: Q83070392
• Mol file: 4853-74-1.mol

Synonyms:Isopropyl Methyl Sulfone;4853-74-1;2-(Methylsulphonyl)propane;2-methylsulfonylpropane;Isopropyl methyl sulphone;2-METHANESULFONYLPROPANE;i-propylmethylsulfone;isopropylmethylsulfone;2-(Methylsulfonyl)propane;SCHEMBL92892;2-(Methylsulfonyl)propane #;DTXSID80197548;MFCD00050415;AKOS015852473;BS-23586;CS-0529651;FT-0713909;I0484;D91166

Chemical Property of 2-(Methylsulphonyl)propane

Chemical Property:

• Vapor Pressure: 0.134mmHg at 25°C
• Melting Point: 16 °C
• Refractive Index: 1.4520 to 1.4550
• Boiling Point: 224.8°Cat760mmHg
• Flash Point: 95.1°C
• PSA: 42.52000
• Density: 1.053g/cm³
• LogP: 1.52020
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 122.04015073
• Heavy Atom Count: 7
• Complexity: 126

Purity/Quality:

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

Isopropyl Methyl Sulfone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)S(=O)(=O)C

Technology Process of 2-(Methylsulphonyl)propane

There total 2 articles about 2-(Methylsulphonyl)propane 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:

methyl isopropyl sulfide (1551-21-9) → methyl isopropyl sulfone (4853-74-1)

Guidance literature:

With dihydrogen peroxide; acetic acid;

DOI:10.1021/ja01152a021

Reference yield:

→ methyl isopropyl sulfone (4853-74-1)

Guidance literature:

Methyl-isopropyl-sulfonyl-Radikal CH3SO2-*C(CH3)2: Diethylsulfon, γ-Bestrahlung (-196grad); nb. CH3*, (CH3)2CH*, CH3-*SO2, (CH3)2CH-*SO2;

DOI:10.1039/tf9656101110

Reference yield:

methyl isopropyl sulfone (4853-74-1) + (R)-1-tritylpyrrolidine-2-carbaldehyde (1033699-62-5) → C28H33NO3S + C28H33NO3S

Guidance literature:

methyl isopropyl sulfone; With potassium hexamethylsilazane; In tetrahydrofuran; at -60 - -30 ℃; for 0.5h;

(R)-1-tritylpyrrolidine-2-carbaldehyde; In tetrahydrofuran; at -70 - 60 ℃; for 2h; Reagent/catalyst;

upstream raw materials:

methyl isopropyl sulfide

Downstream raw materials:

1-(3-nitrophenyl)-4-[1-(propane-2-sulfonyl)piperidin-4-ylmethyl]-4-piperazine

propane-2-sulfonic acid {4-[4-(3-nitrophenyl)piperazin-1-yl]butyl}amide