Ethyl 3-oxobutanoate sodium salt Chemical Properties

Melting point:

168 ºC (DEC.)

Boiling point:

162.05°C (estimate)

Density 

1.1066 (rough estimate)

refractive index 

1.4730 (estimate)

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Liquid

color 

Pale yellow

InChI

InChI=1S/C6H10O3/c1-3-5(7)6(8)9-4-2/h3-4H2,1-2H3

InChIKey

FJAKCEHATXBFJT-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C(=O)CC

CAS DataBase Reference

15933-07-0

Safety Information

HazardClass 

IRRITANT

HS Code 

2918300090

Ethyl 3-oxobutanoate sodium salt Usage And Synthesis

Uses

Ethyl 2-oxobutanoate

Synthesis

b. Sulfuric acid (1 mL) was slowly added to a solution of 2-oxobutanoic acid (6.0 g, 58.8 mmol) in ethanol (100 mL) at room temperature. The reaction mixture was heated to reflux and stirred continuously for 4 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. The residue was diluted with distilled water (50 mL) and the pH was adjusted with 1 N sodium hydroxide solution to about 7. Subsequently, extraction was performed with ethyl acetate (100 mL × 3). The organic layers were combined, dried with anhydrous sodium sulfate, filtered and concentrated to give ethyl 2-oxobutyrate (7.5 g, 98% yield). The product was confirmed by electrospray mass spectrometry (ESI MS), m/z 131 [M + H]+.

References

[1] Patent: US2012/178748, 2012, A1. Location in patent: Page/Page column 52-53
[2] Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 5, p. 1329 - 1331
[3] Journal of Organic Chemistry, 1988, vol. 53, # 11, p. 2589 - 2593
[4] Journal of Medicinal Chemistry, 2016, vol. 59, # 3, p. 1116 - 1139
[5] Tetrahedron, 2013, vol. 69, # 2, p. 474 - 480

Ethyl 3-oxobutanoate sodium salt(15933-07-0)Related Product Information

• Diethyl malonate
• Ethyl 4-bromoacetoacetate
• Ethyl 4-chloroacetoacetate
• p-Hydroxybenzoic acid ethyl ester sodium salt
• Ethyl pyruvate
• Acetoxyacetic acid
• Diethyl methylmalonate
• ISOXADIFEN-ETHYL
• Ethyl acetate
• Ethyl 4-hydroxybenzoate,sodium salt
• Ethyl 2-chloroacetoacetate
• Ethyl cinnamate
• Methyl acetoacetate
• Diethyl maleate
• Ethylparaben
• Isopropyl acetoacetate
• Monoethyl maleate
• Ethyl formate