Oxetan-3-ol CAS 7748-36-9
Introduction：Basic information about Oxetan-3-ol CAS 7748-36-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Oxetan-3-ol Basic information
| Product Name: | Oxetan-3-ol |
| Synonyms: | 3-Oxetanol;Ooetan-3-ol;Oxetan-3-ol, 1,3-Epoxypropan-2-ol;3-Hydroxyoxetane 95%;3 - hydroxyl oxygen heterocyclic butane;1,3-Epoxy-2-propanol;Oxetan-3-ol, >=97%;Oxetan-3-ol |
| CAS: | 7748-36-9 |
| MF: | C3H6O2 |
| MW: | 74.08 |
| EINECS: | 663-648-9 |
| Product Categories: | API intermediates;Alcohols and Derivatives;Heterocycles;Building Blocks/Intermediates;Pyridines;1 |
| Mol File: | 7748-36-9.mol |
Oxetan-3-ol Chemical Properties
| Boiling point | 153℃ |
| density | 1.167 |
| refractive index | 1.438 |
| Fp | 87°(189°F) |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | Chloroform (Soluble), Methanol (Slightly) |
| pka | 13.68±0.20(Predicted) |
| form | Liquid |
| 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 |
Safety Information
| 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 |
| 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 | 95257-22-0 7748-36-9 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 |
Oxetan-3-ol Preparation Products And Raw materials
| Raw materials | 3-Oxetanone-->Oxetane, 3-(1-ethoxyethoxy)--->3-(Benzyloxy)oxetane-->Palladium-->Activated carbon-->Methanol-->Hydrogen |
| Preparation Products | 3-Oxetanone |
