13153-11-2

Basic information

• Product Name: PROPANESULPHONE
• Synonyms: PROPANESULPHONE;1,3-PROPANESULPHONE
• CAS NO: 13153-11-2
• Molecular Formula: C₃H₆OS
• Molecular Weight: 90.14414
• Mol File: 13153-11-2.mol
• Article Data: 15

Chemical Properties

• Melting Point: 31.5 °C
• Boiling Point: 268.7°Cat760mmHg
• Flash Point: 116.3°C
• Appearance: /
• Density: 1.3g/cm³
• Vapor Pressure: 0.0125mmHg at 25°C
• Refractive Index: 1.57
• CAS DataBase Reference: PROPANESULPHONE(CAS DataBase Reference)
• NIST Chemistry Reference: PROPANESULPHONE(13153-11-2)
• EPA Substance Registry System: PROPANESULPHONE(13153-11-2)

Safety Data

• Hazardous Substances Data: 13153-11-2(Hazardous Substances Data)

Usage

General Description

Propanesulphone, also known as Propane-1-sulfonic acid or Methylethanesulphonic acid, is an organic compound with the chemical formula C3H8O3S. It is identified as an organic sulfonic acid and has hygroscopic properties, meaning it absorbs moisture from the atmosphere. Propanesulphone is observed to be a white crystalline solid and highly soluble in water. It is mainly used in the chemical industry for the production of other complex chemicals, especially in pharmaceutical manufacturing. Exposure to this chemical can cause irritation to the skin, eyes, and respiratory tract, necessitating careful handling with appropriate protective equipment.

InChI:InChI=1/C3H6OS/c4-5-2-1-3-5/h1-3H2

Upstream product

• 287-27-4 trimethylene sulphide 

Downstream Products

• 5687-92-3 thiethane 1,1-dioxide 
• 50-00-0 formaldehyd 
• 107-02-8 acrolein 
• 187737-37-7 propene 

Relevant articles and documents

Oxygen-17 Nuclear Magnetic Resonance Spectroscopy of Sulfoxides and Sulfones. Alkyl Substituent Induced Chemical Shift Effects.

Oxygen-17 NMR chemical shifts have been determined for a number of cyclic and acyclic as well as aliphatic, olefinic, and aryl sulfoxides and sulfones.The (17)O NMR chemical shifts for the acyclic, aliphatic, and aromatic sulfoxides reported here absorb in the narrow range between δ -20 and +20, while the cyclic, aliphatic sulfoxides absorb between δ -13 and +66 relative to external (but naturally abundant) H2(17)O.The sulfonyl oxygens are deshielded relative to sulfinyl oxygens, exhibiting chemical shifts for acyclic and cyclic sulfonyl oxygens between δ 120 and 183 for the sulfones reported here.Diastereotopic sulfonyl oxygens exhibit chemical shift nonequivalence.Substituent-induced chemical shift effects by a methyl or methylene group on the sulfinyl and sulfonyl oxygens are discussed.

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Straightforward access to 4-membered sulfurated heterocycles: Introducing a strategy for the single and double functionalization of thietane 1-oxide

A strategy for the stereoselective functionalization of thietane 1-oxide has been developed. Mono (C2 substituted) and doubly (C2, C4 disubstituted) functionalized thietanes have been obtained from the readily available thietane 1-oxide by using the corre

Reaction of singlet oxygen with thietane. A novel example of a self-catalyzed reaction which provides evidence for a thiadioxirane intermediate

Singlet oxygen reacts with thietane, 1, to give the sulfoxide, 1SO, and a trace of sulfone, 1SO2. A mechanism which involves a novel substrate catalyzed interconversion of a persulfoxide and thiadioxirane intermediate is proposed. The data whic

Observed and calculated 1Hand 13C chemical shifts induced by the in situ oxidation ofmodel sulfides to sulfoxides and sulfones

A series of model sulfides was oxidized in the NMR sample tube to sulfoxides and sulfones by the stepwise addition of meta-chloroperbenzoic acid in deuterochloroform. Various methods of quantum chemical calculations have been tested to reproduce the observed 1H and 13C chemical shifts of the starting sulfides and their oxidation products. It has been shown that the determination of the energy-minimized conformation is a very important condition for obtaining realistic data in the subsequent calculation of the NMR chemical shifts. The correlation between calculated and observed chemical shifts is very good for carbon atoms (even for the 'cheap' DFT B3LYP/6-31G* method) and somewhat less satisfactory for hydrogen atoms. The calculated chemical shifts induced by oxidation (the δd values) agree even better with the experimental values and can also be used to determine the oxidation state of the sulfur atom (-S-, -SO-, -SO2 -). Copyright

Synthesis of 2-alkyl(aryl)thietanes

Thietane and its 2-substituted derivatives were synthesized. A general preparation procedure for the synthesis of thietanes bearing alkyl and aryl substituents in the α-position was developed. Using this procedure, 2-substituted thietanes can be obtained from cheap and easily accessible raw materials in three steps. 2-R-Thietanes (where R = H, CH3, C 4H9, C5H11, C6H 13, C6H5) and the corresponding sulfoxides and sulfones were synthesized and examined. Intermediate and by-products of the synthesis were studied. Nauka/Interperiodica 2007.