| Identification | Back Directory | [Name]
Oxetan-3-ol | [CAS]
7748-36-9 | [Synonyms]
3-Oxetanol
Ooetan-3-ol
Oxetan-3-ol
3-Oxetanol>
3-HYDROXYOXETANE
Oxetan-3-ol, >=97%
1,3-Epoxy-2-propanol
3-Hydroxyoxetane 95%
Oxetan-3-ol, 1,3-Epoxypropan-2-ol
3 - hydroxyl oxygen heterocyclic butane | [EINECS(EC#)]
663-648-9 | [Molecular Formula]
C3H6O2 | [MDL Number]
MFCD09056790 | [MOL File]
7748-36-9.mol | [Molecular Weight]
74.08 |
| Chemical Properties | Back Directory | [Boiling point ]
153℃ | [density ]
1.167 | [refractive index ]
1.438 | [Fp ]
87°(189°F) | [storage temp. ]
Room temperature. | [solubility ]
Chloroform (Soluble), Methanol (Slightly) | [form ]
Liquid | [pka]
13.68±0.20(Predicted) | [color ]
Clear colorless | [InChI]
InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2 | [InChIKey]
QMLWSAXEQSBAAQ-UHFFFAOYSA-N | [SMILES]
O1CC(O)C1 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless Transparent Liquid | [Uses]
3-Oxetanol is used as a reagent in the synthesis of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. It is also used as a reagent in the synthesis of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors. | [Synthesis]
General procedure for the synthesis of oxetan-3-ol from 3-(phenylmethoxy)oxetane: 3-(phenylmethoxy)oxetane (59 g, 0.41 mol) and 10% palladium/carbon catalyst were added to methanol (1000 mL) in an autoclave. The hydrogenation reaction was completed by reacting under hydrogen atmosphere (10 atm) at 40°C for 24 hours. Upon completion of the reaction, the palladium/carbon catalyst was removed by filtration, followed by concentration under reduced pressure to remove the solvent. The colorless liquid product oxetan-3-ol (142.63 g) was obtained by distillation in 95.84% yield. | [References]
[1] Patent: CN103554064, 2016, B. Location in patent: Paragraph 0031; 0032; 0041; 0042 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22-37/38-41 | [Safety Statements ]
26-39 | [RIDADR ]
NA 1993 / PGIII | [WGK Germany ]
3 | [TSCA ]
No | [HS Code ]
29329990 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
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