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| | 4-Hydroxy-2-butanone Basic information |
| | 4-Hydroxy-2-butanone Chemical Properties |
| Melting point | 15°C (estimate) | | Boiling point | 73-76 °C/12 mmHg (lit.) | | density | 1.023 g/mL at 25 °C (lit.) | | refractive index | 1.430 | | Fp | 91°F | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | solubility | Chloroform, Methanol (Slightly) | | form | Oil | | pka | 14.43±0.10(Predicted) | | color | Clear Colourless | | Water Solubility | Miscible with water, alcohol, ethanol and ether. | | BRN | 1737666 | | InChI | 1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3 | | InChIKey | LVSQXDHWDCMMRJ-UHFFFAOYSA-N | | SMILES | CC(=O)CCO | | LogP | -1.209 at 25℃ | | CAS DataBase Reference | 590-90-9(CAS DataBase Reference) | | NIST Chemistry Reference | 4-Hydroxy-2-butanone(590-90-9) | | EPA Substance Registry System | 2-Butanone, 4-hydroxy- (590-90-9) |
| Risk Statements | 10 | | Safety Statements | 16-24/25 | | RIDADR | UN 1993 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | 3 | | HS Code | 29144000 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Flam. Liq. 3 |
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ALFA
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| | 4-Hydroxy-2-butanone Usage And Synthesis |
| Chemical Properties | Colourless to pale yellow liquid | | Uses | 4-Hydroxy-2-butanone is used in the preparation of fused benzazepine molecules as selective D3 receptor antagonists with pharmaceutical activity. It is also used in the preparation of verrucarin and mevalonic acid lactone. Further, it is used to prepare 3-buten-2-one through dehydration over an anatase titanium dioxide catalyst. It is also employed in the preparation of 4-methyl-5-hydroxymethylthiazole, (±)-lineatin and beta-hydroxylactones. | | Definition | ChEBI: A beta-hydroxy ketone that is butan-2-one substituted by a hydroxy group at position 4. | | Application | 4-Hydroxy-2-butanone has been used in the synthesis of:- 3-buten-2-one via dehydration over anatase-TiO2 catalyst
- 4-methyl-5-hydroxymethylthiazole
- (±)-lineatin
- mevalonic acid lactone
- verrucarin
- β-hydroxylactones
| | General Description | 4-Hydroxy-2-butanone is an important pharmaceutical intermediate. Gas phase reaction of the OH radicals with 4-hydroxy-2-butanone has been investigated by absolute rate method. | | Synthesis | A method for synthesizing 4-hydroxy-2-butanone, comprising the steps of:
(1) adding a certain amount of 1.3 butanediol, catalyst, water and water-carrying agent to a reaction vessel, stirring well to form a mixed solution, and raising temperature to 60-75C;
(2) continue stirring, add hydrogen peroxide with a mass concentration of 25-35% dropwise to the mixed solution, and distill and dehydrate while dropping and adding;
(3) When the content of 1.3 butanediol in the reaction vessel is detected to be less than 5% of the initial content, stop adding hydrogen peroxide dropwise, and continue stirring for 0.5-1.5h;
(4) control the temperature in the reaction vessel, and vaporize the water-carrying agent;
(5) lowering the temperature in the reaction vessel to 60-65C and distilling to obtain the target product 4-hydroxy-2-butanone.
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| | 4-Hydroxy-2-butanone Preparation Products And Raw materials |
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