| Company Name: |
Alfa Aesar |
| Tel: |
400-6106006 |
| Email: |
saleschina@alfa-asia.com |
| Company Name: |
Energy Chemical |
| Tel: |
400-0056266 |
| Email: |
sales8178@energy-chemical.com |
ETHYL TRIMETHYLACETOPYRUVATE manufacturers
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| | ETHYL TRIMETHYLACETOPYRUVATE Basic information |
| Product Name: | ETHYL TRIMETHYLACETOPYRUVATE | | Synonyms: | Ethyl-5,5-dimethyl-2,4-dioxohexanoat;Ethyl trimethyacetopyruvate, 98+%;2,4-Dioxo-5,5-dimethylhexanoic acid ethyl ester;3-Pivaloylpyruvic acid ethyl ester;Ethyl 5, 5-dimethyl2, 4-dioxo-1-hexanoate;5,5-Dimethyl-2,4-dioxo-hexanoic acid ethyl ester;Ethyl (trimethylacetyl)pyruvate, Ethyl 5,5-dimethyl-2,4-dioxocaproate;Ethyl 2,4-dioxo-5,5-dimethylhexanoate | | CAS: | 13395-36-3 | | MF: | C10H16O4 | | MW: | 200.23 | | EINECS: | 236-478-4 | | Product Categories: | | | Mol File: | 13395-36-3.mol |  |
| | ETHYL TRIMETHYLACETOPYRUVATE Chemical Properties |
| Boiling point | 64 °C | | density | 1.046±0.06 g/cm3(Predicted) | | refractive index | 1.4700 | | Fp | 68-70°C/0.5mm | | storage temp. | 2-8°C | | pka | 6.98±0.46(Predicted) | | form | clear liquid | | color | Light yellow to Brown | | BRN | 510374 | | InChI | InChI=1S/C10H16O4/c1-5-14-9(13)7(11)6-8(12)10(2,3)4/h5-6H2,1-4H3 | | InChIKey | NIMKIMUBJFWPTD-UHFFFAOYSA-N | | SMILES | C(OCC)(=O)C(=O)CC(=O)C(C)(C)C | | CAS DataBase Reference | 13395-36-3 |
| Hazard Codes | Xi | | Safety Statements | 23-24/25 | | HazardClass | IRRITANT | | HS Code | 2934999090 |
| Provider | Language |
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ALFA
| English |
| | ETHYL TRIMETHYLACETOPYRUVATE Usage And Synthesis |
| Synthesis | A mixture of pinacolone (740 mmol) and diethyl oxalate (820 mmol) was added dropwise to a solution of sodium ethoxide (prepared by dissolving 740 mmol of sodium in 450 mL of ethanol) at room temperature, followed by stirring the reaction for 1 hour at 78 °C. Upon completion of the reaction, the reaction mixture was cooled to room temperature and slowly poured into a pre-cooled aqueous 5 M hydrochloric acid solution (800 mL). Extraction was carried out with methyl tert-butyl ether (300 mL each time, 3 times in total), and the combined organic phases were washed with saturated aqueous sodium chloride solution (500 mL) and dried over anhydrous sodium sulfate. After filtration, the solvent was removed by distillation under reduced pressure to afford the target product ethyl 5,5-dimethyl-2,4-dioxohexanoate as a red liquid. Product weight: 140 g, yield: 93.3%. Mass spectrum (ES+): m/z 199 ([M+H]+). Nuclear magnetic resonance hydrogen spectrum (1H NMR, CDCl3): δ 6.5 (1H, s, CH), 4.3 (2H, q, OCH2), 1.35 (3H, t, CH3), 1.15 (9H, s, 3×CH3). | | References | [1] Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 18, p. 4383 - 4388
[2] Journal of Organic Chemistry, 1997, vol. 62, # 17, p. 5908 - 5919
[3] Patent: WO2009/71707, 2009, A1. Location in patent: Page/Page column 43
[4] Chinese Chemical Letters, 2016, vol. 27, # 4, p. 566 - 570
[5] Chinese Chemical Letters, 2016, vol. 27, # 2, p. 251 - 255 |
| | ETHYL TRIMETHYLACETOPYRUVATE Preparation Products And Raw materials |
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