Introduction：Basic information about Ethyl 4-acetylbutyrate CAS 13984-57-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Ethyl 4-acetylbutyrate Basic information
| Product Name: | Ethyl 4-acetylbutyrate |
| Synonyms: | 5-Oxohexanoic acid ethyl ester;5-oxo-hexanoicaciethylester;Ethyl 5-oxohexanoate;ETHYL 4-ACETYLBUTYRATE;4-Acetylbutyricacidethylester;Hexanoic acid, 5-oxo-, ethyl ester;Ethyl 4-acetylbutanoate;5-Ketocaproic acid ethyl ester |
| CAS: | 13984-57-1 |
| MF: | C8H14O3 |
| MW: | 158.2 |
| EINECS: | 237-776-7 |
| Product Categories: | Plasticizers;Polymer Additives;Polymer Science |
| Mol File: | 13984-57-1.mol |
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Ethyl 4-acetylbutyrate Chemical Properties
| Boiling point | 221-222 °C(lit.) |
| density | 0.989 g/mL at 25 °C(lit.) |
| refractive index | n20/D 1.427(lit.) |
| Fp | 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 |
| InChIKey | MGPSIDGTLFKDEY-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)CCCC(=O)C |
| EPA Substance Registry System | Ethyl 5-oxohexanoate (13984-57-1) |
Safety Information
| Hazard Codes | Xi |
| Safety Statements | 24/25 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 2918300090 |
| Storage Class | 10 - Combustible liquids |
Ethyl 4-acetylbutyrate Usage And Synthesis
| Uses | 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.
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Ethyl 4-acetylbutyrate Preparation Products And Raw materials
| Preparation Products | ethyl 4-(2-methyl-1,3-dioxolan-2-yl)butanoate-->5-Methylnonan-1-ol |
