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598-03-8

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598-03-8 Usage

Chemical Properties

WHITE TO OFF-WHITE CRYSTALLINE LOW MELTING SOLID

Synthesis Reference(s)

The Journal of Organic Chemistry, 26, p. 1331, 1961 DOI: 10.1021/jo01063a632

Check Digit Verification of cas no

The CAS Registry Mumber 598-03-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,9 and 8 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 598-03:
(5*5)+(4*9)+(3*8)+(2*0)+(1*3)=88
88 % 10 = 8
So 598-03-8 is a valid CAS Registry Number.
InChI:InChI=1/C6H14O4S/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3

598-03-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Dipropyl Sulfone

1.2 Other means of identification

Product number -
Other names 1-propylsulfonylpropane

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:598-03-8 SDS

598-03-8Relevant articles and documents

Synthesis, spectral characterization, SC-XRD, HSA, DFT and catalytic activity of novel dioxovanadium(V) complex with aminobenzohydrazone Schiff base ligand: An experimental and theoretical approach

Ashfaq, Muhammad,Behjatmanesh-Ardakani, Reza,Fallah-Mehrjardi, Mehdi,Kargar, Hadi,Munawar, Khurram Shahzad,Tahir, Muhammad Nawaz

, (2021/07/28)

A new dioxovanadium(V) complex was prepared by the reaction of VO(acac)2 with a tridentate ONO donor Schiff base, derived by condensing 3-ethoxysalicylaldehyde and 4-aminobenzohydrazide. The structures of synthesized products were characterized spectroscopically through FT-IR, 1H & 13C NMR and by elemental composition through combustion analysis. The structure of the complex was determined with the help of single crystal X-ray crystallography. It was inferred from the diffraction data that the geometry around the central metal ion in the complex is distorted square pyramidal. The tridentate Schiff base ligand is bonded to the central metal through the oxygen of the carbonyl group, the deprotonated phenolic oxygen atom and the azomethine nitrogen. The pyramid base is completed by other oxo ligands that are in cis positions. The theoretical calculations, performed by DFT using B3LYP/Def2-TZVP level of theory, determined that the intended outcomes are in compliance with the actual consequences. Furthermore, the catalytic potential of the vanadium complex was explored for the selective oxidation of the aryl and alkyl sulfides to the corresponding sulfones in the presence of 30% aqueous H2O2 in ethanol. In this work, rPBE and B3LYP methods are used to locate transition structures and to compare free energies of reactants, transition structures and the products involved in the reaction. Analyzing nudge elastic band data shows that the barrier free energy for the oxidation of sulfide to sulfoxide and sulfone are 13 and 83 kcal.mol?1, respectively. The main advantages of the present catalytic study are high yields of the products, less time required for the completion of the reaction and simple work-out procedure.

Magneli-type tungsten oxide nanorods as catalysts for the selective oxidation of organic sulfides

D?ren, René,Hartmann, Jens,Leibauer, Benjamin,Panth?fer, Martin,Mondeshki, Mihail,Tremel, Wolfgang

, p. 14027 - 14037 (2021/10/19)

Selective oxidation of thioethers is an important reaction to obtain sulfoxides as synthetic intermediates for applications in the chemical industry, medicinal chemistry and biology or the destruction of warfare agents. The reduced Magneli-type tungsten oxide WO3?xpossesses a unique oxidase-like activity which facilitates the oxidation of thioethers to the corresponding sulfoxides. More than 90% of the model system methylphenylsulfide could be converted to the sulfoxide with a selectivity of 98% at room temperature within 30 minutes, whereas oxidation to the corresponding sulfone was on a time scale of days. The concentration of the catalyst had a significant impact on the reaction rate. Reasonable catalytic effects were also observed for the selective oxidation of various organic sulfides with different substituents. The WO3?xnanocatalysts could be recycled at least 5 times without decrease in activity. We propose a metal oxide-catalyzed route based on the clean oxidant hydrogen peroxide. Compared to other molecular or enzyme catalysts the WO3?xsystem is a more robust redox-nanocatalyst, which is not susceptible to decomposition or denaturation under standard conditions. The unique oxidase-like activity of WO3?xcan be used for a wide range of applications in synthetic, environmental or medicinal chemistry.

Synthesis and characterization of Manganese(III) tetraphenylporphyrinato chloride immobilized on multi-wall carbon nanotubes, and its application as an efficient and reusable catalyst in the biomimetic oxidation of sulfides: A comprehensive experimental and computational study

Khajehzadeh, Mostafa,Moghadam, Majid,Noorbakhsh, Pardis

, (2020/08/07)

In the present study, manganese(III) tetraphenylporphyrinato choloride, was immobilized on multiwall carbon nanotubes by covalent bonding. The structures of [Mn(TPP)Cl]&at;AP-MWC catalyst was confirmed by FT-IR, UV–vis spectroscopic techniques and scanning electron microscopy (SEM). Then, the ability of this novel heterogeneous catalyst was investigated in the oxidation of linear and cyclic sulfides under magnetic stirring conditions. Also, the DFT computational method (B3PW91 method with LanL2DZ basis set) was used for further analysis of this catalyst. Based on this method, the molecular geometries and frequencies of vibrations, chemical shifts, absorbed wavelengths, hyper-conjugative interactions, electron transitions between electron surfaces, positive and negative charges, HOMO and LUMO gap, wavelength (λ), chemical potential (μ), ionization energy (IE), global hardness (η), global softness (S), electrophilicity index (ω) and electronegativity (α) of the most intensity electronic transition for carbon nanotubes and [Mn(TPP)Cl]&at;AP-MWCNT catalyst were calculated. The activity and efficiency of this catalyst were then investigated in the biomimetic oxidation of sulfides. The [Mn(TPP)Cl]&at;AP-MWC heterogeneous catalyst showed the advantages such as high efficiency, good to excellent yield, short reaction times, easy separation and high reusability of the catalyst.

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