ChemicalBook--->CAS DataBase List--->2058-49-3

2058-49-3

2058-49-3 Structure

2058-49-3 Structure
IdentificationBack Directory
[Name]

METHYL-(3-HYDROXYPROPYL) SULFONE
[CAS]

2058-49-3
[Synonyms]

Ba 2769
3-(methylsulfonyl)-1-propano
3-hydroxypropylmethylsulfone
3-methanesulfonylpropan-1-ol
3-(Methylsulfonyl)-1-propanol
3-(Methylsulfonyl)propan-1-ol
3-(Methanesulfonyl)-1-propanol
1-Propanol, 3-(methylsulfonyl)-
METHYL-(3-HYDROXYPROPYL) SULFONE
3-(methylsulfonyl)-1-propanol(SALTDATA: FREE)
[Molecular Formula]

C4H10O3S
[MDL Number]

MFCD01696727
[MOL File]

2058-49-3.mol
[Molecular Weight]

138.19
Chemical PropertiesBack Directory
[Boiling point ]

349.4±25.0 °C(Predicted)
[density ]

1?+-.0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

14.57±0.10(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25-36
[Safety Statements ]

26-45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[PackingGroup ]

[HS Code ]

2905599890
[Toxicity]

mouse,LD50,intravenous,> 5gm/kg (5000mg/kg),Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 30, Pg. 242, 1971.
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL-(3-HYDROXYPROPYL) SULFONE(2058-49-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-Methylthiopropanol

505-10-2

METHYL-(3-HYDROXYPROPYL) SULFONE

2058-49-3

General procedure for the synthesis of 3-methylsulfonyl-1-propanol from 3-methylthiopropanol: 3-methylthiopropanol (200 g, 1900 mmol) was dissolved in dichloromethane (2000 ml). The reaction mixture was cooled to 0°C. An 85% aqueous solution of m-chloroperoxybenzoic acid (970 g, 5700 mmol) was added in batches while maintaining the temperature between 0 and 5 °C. After the addition was completed, the reaction mixture was slowly warmed to 25 °C and the reaction was stirred at this temperature for 15 hours. After completion of the reaction, the mixture was filtered through a diatomaceous earth pad. The filtrate was purified by fast column chromatography (eluent: petroleum ether/ethyl acetate = 3:1, followed by ethyl acetate/methanol = 10:1) to afford the target product 3-methylsulfonyl-1-propanol (75 g, 29% yield).

[References]

[1] Patent: WO2012/80447, 2012, A1. Location in patent: Page/Page column 18
[2] Patent: WO2012/80450, 2012, A1. Location in patent: Page/Page column 27
[3] Patent: WO2012/80449, 2012, A1. Location in patent: Page/Page column 20
[4] Patent: US2013/267555, 2013, A1. Location in patent: Paragraph 0092-0094
[5] Patent: WO2013/186335, 2013, A1. Location in patent: Page/Page column 78; 79
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