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13051-21-3

13051-21-3 Structure

13051-21-3 Structure
IdentificationBack Directory
[Name]

2,2-DIMETHYL-MALONIC ACID MONOMETHYL ESTER
[CAS]

13051-21-3
[Synonyms]

2,2-DIMETHYL-MALONIC ACID MONOMETHYL ESTER
3-Methoxy-2,2-diMethyl-3-oxopropanoic acid
Propanedioic acid, 2,2-dimethyl-, 1-methyl ester
[Molecular Formula]

C6H10O4
[MDL Number]

MFCD09833517
[MOL File]

13051-21-3.mol
[Molecular Weight]

146.14
Chemical PropertiesBack Directory
[Melting point ]

35-38 °C
[Boiling point ]

78.5 °C(Press: 20 Torr)
[density ]

1.0624 g/cm3
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

2.92±0.36(Predicted)
[Appearance]

Colorless to off-white <35°C Solid,>38°C Liquid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2917198090
Spectrum DetailBack Directory
[Spectrum Detail]

2,2-DIMETHYL-MALONIC ACID MONOMETHYL ESTER(13051-21-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methanol

67-56-1

2,2,5,5-tetraMethyl-1,3-dioxane-4,6-dione

15568-97-5

2,2-DIMETHYL-MALONIC ACID MONOMETHYL ESTER

13051-21-3

To a round-bottomed flask containing a solution of THF:MeOH (50 mL, 1:5, v/v) with KOH (46.46 mmol) was slowly added 2,2,5,5-tetramethyl-1,3-dioxane-4,6-dione (11.61 mmol) at 0 °C. The reaction mixture was stirred at room temperature for 24 hours. After completion of the reaction, the mixture was poured into a solution of 1 M HCl (50 mL) and extracted with ether. The organic phases were combined, washed with saturated brine, dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure to give monomethyl 2,2-dimethylmalonate in 88% yield.

[References]

[1] European Journal of Medicinal Chemistry, 2013, vol. 64, p. 169 - 178
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