Methyl 3-oxovalerate Chemical Properties

Melting point:

-35 °C

Boiling point:

73-74 °C5 mm Hg(lit.)

Density 

1.037 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.422(lit.)

Flash point:

71 °C

storage temp. 

Store below +30°C.

solubility 

Chloroform

pka

10.56±0.46(Predicted)

form 

Liquid

Specific Gravity

1.05

color 

Clear colorless to slightly yellow

Water Solubility 

SLIGHTLY SOLUBLE

BRN 

1753684

InChIKey

XJMIXEAZMCTAGH-UHFFFAOYSA-N

CAS DataBase Reference

30414-53-0(CAS DataBase Reference)

NIST Chemistry Reference

Pentanoic acid, 3-oxo-, methyl ester(30414-53-0)

Safety Information

Hazard Codes 

F,Xi

Risk Statements 

36/37/38

Safety Statements 

24/25-36-26

WGK Germany 

3

Hazard Note 

Flammable

HazardClass 

IRRITANT

HS Code 

29183000

MSDS

• Language:English Provider:Methyl 3-oxopentanoate
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

Methyl 3-oxovalerate Usage And Synthesis

Chemical Properties

clear colorless to slightly yellow liquid

Uses

Methyl Propionylacetate is used in the synthesis of anti-Perol stereospecific reductases that can be used in the asymmettric and environmentally friendly reduction of ketones.

Uses

Methyl 3-oxovalerate is used in the synthesis of anti-Perol stereospecific reductases that can be used in the asymmettric and environmentally friendly reduction of ketones.

Synthesis Reference(s)

Journal of the American Chemical Society, 92, p. 6702, 1970 DOI: 10.1021/ja00725a088
The Journal of Organic Chemistry, 43, p. 2087, 1978 DOI: 10.1021/jo00404a066

Synthesis

The general procedure for synthesizing methyl 3-oxovalerate from propionyl chloride was as follows: in a mixed solvent of 520 mL of methylene chloride and 30 mL of methyl ethyl ketone, 116 g (1.0 mol) of methyl acetoacetate, 77.8 g (1.05 mol) of calcium hydroxide, and 106.5 g (1.15 mol) of propionyl chloride were added, and the reaction conditions were the same as those in Example 1. After completion of the reaction, the pH of the reaction mixture was adjusted with ammonia to 9.1. 117 g of methyl 3-oxovalerate was finally obtained, which was analyzed by gas chromatography (GC) with a purity of 79.0% and a yield of 71.0%.

References

[1] Patent: US5194671, 1993, A

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