| Identification | Back Directory | [Name]
2-Methyl-N-(oxetan-3-ylid... | [CAS]
1158098-73-7 | [Synonyms]
2-Methyl-N-(oxetan-3-ylid...
2-Methyl-N-(oxetan-3-ylidene)
3-[(tert-Butylsulfinyl)imino]oxetan
3-(tert-butylsulfinylmethylene)oxetane
2-Methyl-n-(oxetan-3-yl)propane-2-sulfinaMide
2-Methyl-N-(3-oxetanylidene)-2-propanesulfinaMide
2-PropanesulfinaMide, 2-Methyl-N-3-oxetanylidene-
2-Methyl-N-(oxetan-3-ylidene)propane-2-sulfinamide
2-Methyl-N-(3-oxetanylidene)propane-2-sulfinamide,95%
2-Methyl-N-(3-oxetanylidene)propane-2-sulfinaMide, 95%
2-Methyl-N-(oxetan-3-ylidene)propane-2-sulfinaMide 2-Methylpropane-2-sulfinic acid oxetan-3-ylideneaMide | [Molecular Formula]
C7H13NO2S | [MDL Number]
MFCD14702522 | [MOL File]
1158098-73-7.mol | [Molecular Weight]
175.249 |
| Chemical Properties | Back Directory | [Boiling point ]
302.8±52.0 °C(Predicted) | [density ]
1.25 | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
-0.50±0.20(Predicted) | [Appearance]
Light yellow to brown Solid-Liquid Mixture | [Water Solubility ]
Soluble in water. (1.00E+06 mg/L). | [InChI]
InChI=1S/C7H13NO2S/c1-7(2,3)11(9)8-6-4-10-5-6/h4-5H2,1-3H3 | [InChIKey]
VKUZMNXQGKBLHN-UHFFFAOYSA-N | [SMILES]
CC(C)(S(/N=C1\COC\1)=O)C | [CAS DataBase Reference]
1158098-73-7 |
| Hazard Information | Back Directory | [Uses]
It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs. | [Synthesis]
3-Oxetanone (0.5 g, 7 mmol) and tert-butylsulfinamide (0.9 g, 7 mmol) were dissolved in ethanol (30 mL), titanium tetraisopropoxide (2 g, 7 mmol) was added, and the reaction was stirred for 8 hours at 80 °C. After the reaction was completed, 1N sodium hydroxide solution (10 mL) was added and stirring was continued for 2 hours at room temperature. The reaction mixture was concentrated to dryness and the resulting crude product was purified by silica gel column chromatography to give the final target product 3-[(tert-butylsulfinylidene)imino]oxetane (0.6 g, 76% yield) in white solid form. | [References]
[1] Organic Letters, 2011, vol. 13, # 15, p. 3912 - 3915
[2] Patent: CN108341814, 2018, A. Location in patent: Paragraph 0217-0218; 0220-0222
[3] Patent: US2012/108574, 2012, A1. Location in patent: Page/Page column 115
[4] Patent: EP3342765, 2018, A1. Location in patent: Paragraph 0231
[5] Patent: WO2012/13643, 2012, A1. Location in patent: Page/Page column 64 |
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