Methyl pivaloylacetate Chemical Properties

Boiling point:

67-70 °C13 mm Hg(lit.)

Density 

0.99 g/mL at 25 °C(lit.)

vapor pressure 

0.4 mm Hg ( 20 °C)

refractive index 

n20/D 1.487(lit.)

Flash point:

171 °F

storage temp. 

Store at room temperature

form 

Liquid

pka

10.78±0.46(Predicted)

Specific Gravity

0.99

color 

Clear colorless

BRN 

1764796

InChI

InChI=1S/C8H14O3/c1-8(2,3)6(9)5-7(10)11-4/h5H2,1-4H3

InChIKey

XTXCFTMJPRXBBC-UHFFFAOYSA-N

SMILES

C(OC)(=O)CC(=O)C(C)(C)C

CAS DataBase Reference

55107-14-7(CAS DataBase Reference)

NIST Chemistry Reference

Pentanoic acid, 4,4-dimethyl-3-oxo-, methyl ester(55107-14-7)

EPA Substance Registry System

Methyl 4,4,4-trimethylacetoacetate (55107-14-7)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

WGK Germany 

3

TSCA 

TSCA listed

HS Code 

2915907098

Storage Class

10 - Combustible liquids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

• Language:English Provider:Methyl 4,4-dimethyl-3-oxovalerate
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Methyl pivaloylacetate Usage And Synthesis

Chemical Properties

Clear colorless to orange liquid

Uses

Methyl 4,4-dimethyl-3-oxopentanoate has been used:

• as substarte during InCl₃-catalyzed syntheses of some new dibenzo(d,f)(1,3)dioxepines and 12H-dibenzo(d,g)(1,3)dioxocin derivatives
• in the preparation of neat α-oxoketene, carbomethoxypivaloylketene

Synthesis

 (1), from chlorotripentane and formaldehyde under acidic conditions for condensation reaction, catalyzed by Zn/Co/Sb composite catalyst, the reaction temperature of 60 ?? C, reaction time of 5h, the preparation of pinacolone, Zn/Co/Sb composite catalyst in the amount of each component of the material sum and the amount of chlorotripentane between the ratio of the substance of the ratio of 3:50;

(2), using pinacolone, sodium hydride and dimethyl carbonate as raw materials, toluene as solvent, at 55 ~ 60 ?? C, stirring reaction and then cooled, at pH = 4, the preparation of 4, 4-dimethyl-3-oxo-pentanoic acid methyl ester crude, pinacolone content of water ??0.2fft.%,the moisture content of the toluene & lt; 0.2Wt.%;/p>

 (3)??4, 4_Dimethyl-3-oxo-pentanoic acid methyl ester crude. ,4_Dimethyl-3oxo-pentanoic acid methyl ester crude product was distilled under a vacuum of less than 1 mm Hg and a temperature of 90??C. The 4,4-dimethyl-3oxo-pentanoic acid methyl ester obtained was of high purity and high yield, with the main content of 98 % or more, and the total yield also reached 96 %.

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