Ethyl 4-acetylbutyrate
Synonym(s):4-Acetylbutyric acid ethyl ester;5-Oxohexanoic acid ethyl ester;Ethyl 5-oxohexanoate
- CAS NO.：13984-57-1
- Empirical Formula: C8H14O3
- Molecular Weight: 158.2
- MDL number: MFCD00009213
- EINECS: 237-776-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:26:35
What is Ethyl 4-acetylbutyrate?
The Uses of Ethyl 4-acetylbutyrate
Ethyl 4-acetylbutyrate is used to prepare tyrosine-derived RGD peptidomimetics containing oligoethylene glycol (OEG) spacers. It is also used to synthesize constrained glycyl amides derived from RGD tripeptide as nonpeptide αvβ3 antagonists.
Synthesis
30ml of acetone and 11.5mmol of tetrahydropyrrole were added to a dry three-necked flask equipped with a thermometer and reflux condenser, and then slowly add 50mmol of ethyl acrylate dropwise at 60°C for 10h. After the reaction, the reaction solution is at 60°C Distill the remaining unreacted acetone and acidify with dilute hydrochloric acid to adjust the pH to 4. Add ethyl acetate for extraction, collect the organic layer, and perform preliminary vacuum distillation at 0.1MPa vacuum and 45°C to distill off the low-boiling solvent, followed by 3- Collect 70-80°C fractions under a vacuum of 7mmHg to prepare Ethyl 4-acetylbutyrate.
Properties of Ethyl 4-acetylbutyrate
| Boiling point: | 221-222 °C(lit.) |
| Density | 0.989 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point: | 157 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Sparingly), Methanol (Slightly) |
| form | Oil |
| color | Colourless |
| BRN | 1762625 |
| InChI | InChI=1S/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3 |
| EPA Substance Registry System | Ethyl 5-oxohexanoate (13984-57-1) |
Safety information for Ethyl 4-acetylbutyrate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids |
| Precautionary Statement Codes |
P403+P235:Store in a well-ventilated place. Keep cool. |
Computed Descriptors for Ethyl 4-acetylbutyrate
| InChIKey | MGPSIDGTLFKDEY-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)CCCC(=O)C |
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