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.)

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

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 

Yes

HS Code 

2918300090

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

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.

Ethyl 4-acetylbutyrate(13984-57-1)Related Product Information

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