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: 2025-01-27 09:38:02

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	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)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H227:Flammable liquids
Precautionary Statement Codes	P403+P235:Store in a well-ventilated place. Keep cool.