ChemicalBook--->CAS DataBase List--->81363-76-0

81363-76-0

81363-76-0 Structure

81363-76-0 Structure
IdentificationBack Directory
[Name]

Isopropylsulfonamide
[CAS]

81363-76-0
[Synonyms]

Isopropylsulfonamide
2-Propanesulfonamide
propane-2-sulfonamide
Isopropylsulphonamide 98%
IsopropylsulfonamidePropane-2-sulfonamide
Propane-2-sulphonamide, 2-Sulphamoylpropane
[Molecular Formula]

C3H9NO2S
[MDL Number]

MFCD03550610
[MOL File]

81363-76-0.mol
[Molecular Weight]

123.17
Chemical PropertiesBack Directory
[Melting point ]

61-65 °C(Solv: chloroform (67-66-3); carbon tetrachloride (56-23-5))
[Boiling point ]

216.5±23.0 °C(Predicted)
[density ]

1.194±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

10.69±0.60(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C3H9NO2S/c1-3(2)7(4,5)6/h3H,1-2H3,(H2,4,5,6)
[InChIKey]

SJMCLWCCNYAWRQ-UHFFFAOYSA-N
[SMILES]

CC(S(N)(=O)=O)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H302-H335
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
[HS Code ]

2935909099
Hazard InformationBack Directory
[Chemical Properties]

Type of white solid
[Synthesis]

ISOPROPYLSULFONYL CHLORIDE

10147-37-2

Isopropylsulfonamide

81363-76-0

The general procedure for the synthesis of isopropylsulfonamide from isopropylsulfonyl chloride is as follows: 500 μL of isopropylsulfonyl chloride (4.5 mmol) was slowly added to a mixture of 6 mL of methylene chloride and 11 mL of ammonium hydroxide at room temperature. The reaction mixture was stirred at room temperature overnight. After completion of the reaction, the organic layer was separated by extraction with dichloromethane. The organic layer was dried with anhydrous magnesium sulfate, the desiccant was removed by filtration, and the filtrate was concentrated under reduced pressure to give 121 mg of isopropylsulfonamide in 22% yield. The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3): δ 1.4 (d, J = 6.8 Hz, 6H), 3.2 (m, 1H), 4.4 (s, 2H).

[References]

[1] Patent: EP514133, 1992, A1
[2] Patent: US5428031, 1995, A
[3] Journal of Fluorine Chemistry, 1996, vol. 79, # 1, p. 71 - 75
[4] Patent: US2005/143422, 2005, A1. Location in patent: Page/Page column 52
[5] Recueil des Travaux Chimiques des Pays-Bas, 1906, vol. 25, p. 215
Spectrum DetailBack Directory
[Spectrum Detail]

Isopropylsulfonamide(81363-76-0)1HNMR
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