| Identification | Back Directory | [Name]
3-Oxetanol, 3-Methyl- | [CAS]
162816-08-2 | [Synonyms]
3-Methyloxetan-3-ol
3-Oxetanol, 3-Methyl-
3-Hydroxy-3-methyloxetane 97% | [EINECS(EC#)]
200-528-9 | [Molecular Formula]
C4H8O2 | [MDL Number]
MFCD18909291 | [MOL File]
162816-08-2.mol | [Molecular Weight]
88.11 |
| Chemical Properties | Back Directory | [Boiling point ]
136.3±8.0 °C(Predicted) | [density ]
1.137±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [pka]
13.75±0.20(Predicted) | [Appearance]
Colorless to light yellow Liquid | [InChI]
InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3 | [InChIKey]
DHDPUVPGALXWOL-UHFFFAOYSA-N | [SMILES]
O1CC(C)(O)C1 |
| Hazard Information | Back Directory | [Synthesis]
Methylmagnesium bromide (MeMgBr, 74.0 mL, 222 mmol) was added dropwise to a tetrahydrofuran (THF, 300 mL) solution of 3-oxetanone (8 g, 111 mmol) that was cooled to 0°C. The reaction mixture was stirred at 25°C for 2 hours. After completion of the reaction, the reaction was quenched with aqueous ammonium chloride solution (NH4Cl aq). The precipitate was collected by filtration and washed with dichloromethane (DCM). The filtrate was concentrated to give 3-methyloxetan-3-ol as a light yellow oil (7.5 g, 85 mmol, 77% yield).1H NMR (400 MHz, CDCl3) δ 4.61 (d, J=6.4 Hz, 2H), 4.46 (d, J=7.2 Hz, 2H), 2.31 (s, 1H), 1.56 (s, 3H). | [References]
[1] Patent: WO2016/37578, 2016, A1. Location in patent: Page/Page column 67
[2] Patent: WO2015/142714, 2015, A1. Location in patent: Page/Page column 13
[3] Patent: US9527885, 2016, B2. Location in patent: Page/Page column 394 |
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