ethyl 2,4-dioxopentanoate
ethyl 2,4-dioxovalerate
CAS: 615-79-2
Molecular Formula: C7H10O4
ethyl 2,4-dioxopentanoate - Names and Identifiers
| Name | ethyl 2,4-dioxovalerate |
| Synonyms | ETHYL ACETONOXALATE TIMTEC-BB SBB008612 ETHYL ACETOPYRUVATE ETHYLACETONE OXALATE ethyl 2,4-dioxovalerate ETHYL 2,4-DIOXOVALERATE ethyl 2,4-dioxopentanoate ETHYL 2,4-DIOXOPENTANOATE 2,4-DIOXO-PENTANOIC ACID ETHYL ESTER ethyl (2Z)-2-hydroxy-4-oxopent-2-enoate Pentanoic acid, 2,4-dioxo-, ethyl ester |
| CAS | 615-79-2 |
| EINECS | 210-447-5 |
| InChI | InChI=1/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h4,9H,3H2,1-2H3/b6-4- |
| InChIKey | OYQVQWIASIXXRT-UHFFFAOYSA-N |
ethyl 2,4-dioxopentanoate - Physico-chemical Properties
| Molecular Formula | C7H10O4 |
| Molar Mass | 158.15 |
| Density | 1.126 g/mL at 25 °C (lit.) |
| Melting Point | 16-18 °C (lit.) |
| Boling Point | 101-103 °C/12 mmHg (lit.) |
| Flash Point | >230°F |
| Water Solubility | Miscible with water, ether,chloroform, methanol and ethanol. |
| Solubility | Chloroform, Methanol |
| Vapor Presure | 0.000293mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.126 |
| Color | Clear yellow |
| BRN | 607062 |
| pKa | 6.86±0.46(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.474(lit.) |
| Physical and Chemical Properties | Colorless liquid. Melting point 16-18 ℃, boiling point 101-103 ℃(1.6kPa), relative density 1.126, refractive index 1.4730(20 ℃). Soluble in alcohol, ether, insoluble in water. |
ethyl 2,4-dioxopentanoate - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| HS Code | 29183000 |
| Hazard Class | IRRITANT |
ethyl 2,4-dioxopentanoate - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| use | intermediate of pharmaceutical sulfoammethisoxazole. |
| Production method | Oxalate diester is obtained by condensation with acetone (Klint reaction). Sodium methoxide is dropped into diethyl oxalate and acetone at 40-45 ℃, kept warm for 1h, and concentrated sulfuric acid is added dropwise to pH = 3.5 under cooling. The reactants are extracted with benzene, and the extract is distilled under reduced pressure after the benzene is distilled. The 130-132 ℃(4.93kPa) fraction was collected to obtain the product ethyl acetylpyruvate. |
Last Update：2024-04-09 21:11:58
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