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| | 3-ETHYL-3-OXETANEMETHANOL Basic information |
| | 3-ETHYL-3-OXETANEMETHANOL Chemical Properties |
| Boiling point | 96 °C/4 mmHg (lit.) | | density | 1.019 g/mL at 25 °C (lit.) | | vapor pressure | 3.1Pa at 25℃ | | refractive index | n20/D 1.453(lit.) | | Fp | 227 °F | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | pka | 14.58±0.10(Predicted) | | form | Liquid | | color | Clear colorless | | Water Solubility | Miscible in water. | | InChI | InChI=1S/C6H12O2/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3 | | InChIKey | UNMJLQGKEDTEKJ-UHFFFAOYSA-N | | SMILES | O1CC(CC)(CO)C1 | | LogP | 0.6 at 25℃ | | CAS DataBase Reference | 3047-32-3(CAS DataBase Reference) | | EPA Substance Registry System | 3-Oxetanemethanol, 3-ethyl- (3047-32-3) |
| | 3-ETHYL-3-OXETANEMETHANOL Usage And Synthesis |
| Chemical Properties | clear colorless liquid | | Uses | 3-Ethyl-3-oxetanemethanol is used as pharmaceutical intermediate. | | Synthesis Reference(s) | Journal of the American Chemical Society, 79, p. 3455, 1957 DOI: 10.1021/ja01570a038 | | Synthesis | 3-Ethyl-3-oxetanemethanol was prepared by a modified procedure described in the literature. A mixture of trimethylopropane (1, 26.8 g, 0.2 mol), diethyl carbonate (23.6 g, 0.2 mol) and potassium hydroxide (0.1 g, 1.8 mmol) in 2 ml absolute ethyl alcohol was refluxed in oil bath at 110?C for 1 h. Then, the mixture was distilled at 110?C for 1 h. Distillation was continued until the temperature of oil bath reached 140?C. After the distillation, the vacuum was supplied for 1 h to remove the excess solvent. On heating above 185?C, the distilled materials were collected in a cold trap under vacuum and obtained >85% of the theoretical yield. 1H-NMR (CDCl3, δ, ppm): 0.80–0.83 (t, 3H, –CH2CH3), 1.61–1.66 (q, 2H, –CH2CH3), 3.62 (s, 2H, –CH2OH), 3.66 (s, 1H, –CH2OH), 4.31–4.32 and 4.38–4.39 (d, 4H, –CH2O). |
| | 3-ETHYL-3-OXETANEMETHANOL Preparation Products And Raw materials |
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