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
[InChI]

InChI=1S/C4H10O3S/c1-8(6,7)4-2-3-5/h5H,2-4H2,1H3
[InChIKey]

XPXXXQZNUQAFQY-UHFFFAOYSA-N
[SMILES]

C(O)CCS(C)(=O)=O
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 ]

Ⅲ
[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
2058-49-3 suppliers list
Company Name: GUANGZHOU AANPHARM TECHNOLOGY CO.,LTD  Gold
Telephone: 020-86211473 13925088720
Website: www.aanpharm.com
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Adamas Reagent, Ltd.  
Telephone: 400-6009262 15618770481
Website: www.tansoole.com
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 021-50795510 4000665055
Website: http://www.shao-yuan.com/
Company Name: Nanjing Norris-Pharm Technology Co., Ltd  
Telephone: 13901585132
Website:
Company Name: Letopharm Limited  
Telephone: +86-21-5821 5861
Website: www.letopharm.com
Company Name: Shanghai Raise Chemical Technology Co.,Ltd  
Telephone: 15026594951
Website: http://www.raise-chem.com
Company Name: Bide Pharmatech Ltd.  
Telephone: 400-164-7117 18317119277
Website: www.bidepharm.com
Company Name: Hangzhou J&H Chemical Co., Ltd.  
Telephone: 0571-87396432
Website: www.jhechem.com
Company Name: Shanghai HuanChuan Industry Co.,Ltd.  
Telephone: 021-61478794
Website: www.hcshhai.com
Company Name: Cool Pharm, Ltd  
Telephone: 021-60455363 18019463053
Website: www.coolpharm.com
Company Name: Shanghai KunRaise Chemical Technology Co., Ltd  
Telephone: +86-021-50935922
Website: www.chemicalbook.com/ShowSupplierProductsList16835/0_EN.htm
Company Name: Quzhou Rundong Chemical (Technology) Co.  
Telephone: 0570-8789886 18892685668
Website: http://www.rundongchemical.com
Company Name: Shanghai Wishpharma Co.,Ltd.  
Telephone: 021-56789108 18550363168
Website: www.wish-pharma.com/
Company Name: Shanghai Brain Biotechnology Co., Ltd.  
Telephone: 13564638271
Website: https://www.chemicalbook.com/ShowSupplierProductsList19148/0.htm
Company Name: Shanghai YuanYe Biotechnology Co., Ltd.  
Telephone: 15026964105
Website: www.shyuanye.com
Company Name: Siling(shanghai) chemical Technology Co., Ltd.  
Telephone: 021-64149925
Website: www.chemicalbook.com/ShowSupplierProductsList20070/0_EN.htm
Company Name: Shenzhen Regent Biochemical Technology Co., Ltd.  
Telephone: 0755-85201366 18938635012
Website: http://www.regentsciences.com/
Tags:2058-49-3 Related Product Information
67488-50-0