| Identification | Back Directory | [Name]
1-Azetidinesulfonamide(9CI) | [CAS]
654073-32-2 | [Synonyms]
102882
CPD1543-A9
1-Azetidinesulfonamide
azetidine-1-sulfonaMide
azetidine-1-sulphonamide
1-Azetidinesulfonamide(9CI) | [Molecular Formula]
C3H8N2O2S | [MDL Number]
MFCD18806627 | [MOL File]
654073-32-2.mol | [Molecular Weight]
136.17 |
| Chemical Properties | Back Directory | [Boiling point ]
276.3±23.0 °C(Predicted) | [density ]
1.51±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Store in freezer, under -20°C | [pka]
11.52±0.20(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C3H8N2O2S/c4-8(6,7)5-2-1-3-5/h1-3H2,(H2,4,6,7) | [InChIKey]
STIUWSWFXIBBKI-UHFFFAOYSA-N | [SMILES]
N1(S(N)(=O)=O)CCC1 |
| Hazard Information | Back Directory | [Synthesis]
The general procedure for the synthesis of 1-azetidinylsulfonamide using the compound (CAS:1271835-78-9) as starting material was as follows: palladium hydroxide (20%, 350 mg), benzyl (azetidin-1-ylsulfonyl) carbamate (1.49 g, 5.5 mmol), and 1-methyl-1,4-cyclohexadiene (10.7 g, 0.11 mol) of the The mixture was dissolved in methanol (35 mL) and the reaction was stirred at 60 °C under nitrogen protection overnight. After completion of the reaction, the mixture was cooled to room temperature, filtered through a diatomaceous earth pad, and the filtrate was concentrated in vacuum to afford 1-azetidinesulfonamide (437 mg, 58% yield) as a solid product. The product was characterized by 1H NMR (400 MHz, CD3OD) with chemical shifts δ of 2.15 (quintuple peak, 2H) and 3.78 (triplet peak, 4H).The corresponding mass ions were not detected by LCMS analysis. | [References]
[1] Patent: WO2013/88315, 2013, A1. Location in patent: Page/Page column 75
[2] Patent: WO2013/102826, 2013, A1. Location in patent: Page/Page column 91 |
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