ChemicalBook--->CAS DataBase List--->38330-80-2

38330-80-2

38330-80-2 Structure

38330-80-2 Structure
IdentificationMore
[Name]

Potassium 3-methoxy-3-oxopropanoate
[CAS]

38330-80-2
[Synonyms]

KMM
MALONIC ACID MONOMETHYL ESTER POTASSIUM
METHYL MONO POTASSIUM MALONATE
METHYL POTASSIUM MALONATE
MONO-METHYL MALONATE POTASSIUM SALT
MONOMETHYL MONOPOTASSIUM MALONATE
POTASSIUM 3-METHOXY-3-OXOPROPANOATE
POTASSIUM METHYL MALONATE
POTASSIUM MONOMETHYL MALONATE
Potassiummonomethylmallonate
Propanedioic acid, monomethyl ester, potassium salt
Malonic acid methyl ester potassium salt
Monomethyl malonate potassium salt, Potassium monomethyl malonate
Malonic acid 1-methyl 3-potassium salt
Malonic acid 1-potassium 3-methyl ester salt
Propanedioic acid 1-methyl 3-potassium salt
[EINECS(EC#)]

253-886-8
[Molecular Formula]

C4H5KO4
[MDL Number]

MFCD00014021
[Molecular Weight]

156.18
[MOL File]

38330-80-2.mol
Chemical PropertiesBack Directory
[Appearance]

White crystalline powder
[Melting point ]

200 °C
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Soluble in methanol.
[form ]

Crystalline Powder
[color ]

White
[PH]

pH(50g/l, 25℃) : 5.5~8.0
[BRN ]

3633585
[InChI]

InChI=1S/C4H6O4.K/c1-8-4(7)2-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
[InChIKey]

WWTULTKUWBKVGV-UHFFFAOYSA-M
[SMILES]

C(=O)(OC)CC([O-])=O.[K+]
[CAS DataBase Reference]

38330-80-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Danger
[Hazard statements ]

H304
[Precautionary statements ]

P501-P331-P301+P310-P405
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[F ]

3
[HS Code ]

29171910
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Potassium 3-methoxy-3-oxopropanoate(38330-80-2).msds
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder
[Uses]

A protein advanced glycosylation inhibitor.
[Synthesis]

Dimethyl malonate

108-59-8

Potassium 3-methoxy-3-oxopropanoate

38330-80-2

The general procedure for the synthesis of monomethyl malonate potassium salt from dimethyl malonate was as follows: referring to the literature method, dimethyl malonate (40.0 mmol), water (40.0 mmol), and ethanol (45 mL) were added to a 250 mL two-necked round-bottomed flask, and the mixture was stirred and mixed. The mixture was reacted in an oil bath at 40°C for 2 hours. Subsequently, a solution of potassium tert-butoxide (40.0 mmol) in ethanol (45 mL) was slowly added dropwise over 30 minutes. After the dropwise addition, the reaction was continued with stirring in a 40°C oil bath until the feedstock was completely consumed (the progress of the reaction was monitored by GC analysis). Upon completion of the reaction, the ethanol solvent was slowly evaporated using a rotary evaporator, followed by the addition of 20 mL of diethyl ether. The resulting solid product was collected by filtration and washed sequentially with a 1:1 mixture of ether and ethanol (5 mL × 2) and pure ether (10 mL × 3). The washed solid was transferred to a round-bottomed flask and dried under vacuum at 50 °C for 10 h. The final potassium salt of monomethyl malonate was obtained in 85% yield.

[References]

[1] Tetrahedron, 2012, vol. 68, # 9, p. 2113 - 2120
[2] Angewandte Chemie - International Edition, 2011, vol. 50, # 19, p. 4470 - 4474
[3] Patent: CN106467492, 2017, A. Location in patent: Paragraph 0129; 0130; 0131
[4] Journal of Physical Chemistry, 1987, vol. 91, # 19, p. 5129 - 5134
[5] Patent: US6172257, 2001, B2
Spectrum DetailBack Directory
[Spectrum Detail]

Potassium 3-methoxy-3-oxopropanoate(38330-80-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Monomethyl monopotassium malonate, 98%(38330-80-2)
[Alfa Aesar]

Methyl potassium malonate, 98%(38330-80-2)
[Sigma Aldrich]

38330-80-2(sigmaaldrich)
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