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HomeProduct name listEthyl 4-acetylbutyrate

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: 2023-11-01 11:29:48
Ethyl 4-acetylbutyrate Structural

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.
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  n20/D 1.427(lit.)
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)
ghs
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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