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| | Ethyl 3-oxobutanoate sodium salt Basic information |
| Product Name: | Ethyl 3-oxobutanoate sodium salt | | Synonyms: | Ethyl 3-oxobutanoate sodium salt;Ethyl acetoacetate sodium salt;2-Oxobutanoic acid ethyl ester;2-Oxobutyric acid ethyl ester;Ai3-08324;Einecs 240-071-7;ethyl 2-oxobutanoate(SALTDATA: FREE);2-ketobutyric acid ethyl ester | | CAS: | 15933-07-0 | | MF: | C6H10O3 | | MW: | 130.14 | | EINECS: | 240-071-7 | | Product Categories: | | | Mol File: | 15933-07-0.mol |  |
| | Ethyl 3-oxobutanoate sodium salt Chemical Properties |
| Melting point | 168 ºC (DEC.) | | Boiling point | 162.05°C (estimate) | | density | 1.1066 (rough estimate) | | refractive index | 1.4730 (estimate) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Liquid | | color | Pale yellow | | InChI | InChI=1S/C6H10O3/c1-3-5(7)6(8)9-4-2/h3-4H2,1-2H3 | | InChIKey | FJAKCEHATXBFJT-UHFFFAOYSA-N | | SMILES | C(OCC)(=O)C(=O)CC | | CAS DataBase Reference | 15933-07-0 |
| HazardClass | IRRITANT | | HS Code | 2918300090 |
| | Ethyl 3-oxobutanoate sodium salt Usage And Synthesis |
| Uses | Ethyl 2-oxobutanoate | | Synthesis | b. Sulfuric acid (1 mL) was slowly added to a solution of 2-oxobutanoic acid (6.0 g, 58.8 mmol) in ethanol (100 mL) at room temperature. The reaction mixture was heated to reflux and stirred continuously for 4 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. The residue was diluted with distilled water (50 mL) and the pH was adjusted with 1 N sodium hydroxide solution to about 7. Subsequently, extraction was performed with ethyl acetate (100 mL × 3). The organic layers were combined, dried with anhydrous sodium sulfate, filtered and concentrated to give ethyl 2-oxobutyrate (7.5 g, 98% yield). The product was confirmed by electrospray mass spectrometry (ESI MS), m/z 131 [M + H]+. | | References | [1] Patent: US2012/178748, 2012, A1. Location in patent: Page/Page column 52-53
[2] Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 5, p. 1329 - 1331
[3] Journal of Organic Chemistry, 1988, vol. 53, # 11, p. 2589 - 2593
[4] Journal of Medicinal Chemistry, 2016, vol. 59, # 3, p. 1116 - 1139
[5] Tetrahedron, 2013, vol. 69, # 2, p. 474 - 480 |
| | Ethyl 3-oxobutanoate sodium salt Preparation Products And Raw materials |
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