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Methyl acetoacetate

  • CAS No.: 105-45-3
  • Purity: 99%
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What is the Methyl acetoacetate ?

Methyl acetoacetate is Colorless transparent liquid, while it's Molecular Formula is C5H8O3. Methyl acetoacetate is used as a chemical reagent used in the synthesis of pharmaceuticals. It participates in the Biginelli reaction, forming molecules including dihydropyrimidinones.Methyl acetoacetate (MAA) is used for the synthesis of alpha-substituted aceto- acetic esters and cyclic compounds, e.g. pyrazole, pyrimidine and coumarin derivatives.

What is the CAS number for Methyl acetoacetate ?

The CAS number of Methyl acetoacetate is 105-45-3.

More information of Methyl acetoacetate 105-45-3 are:

Synonyms

Acetoaceticacid, methyl ester (6CI,8CI);3-Oxobutanoic acid methyl ester;3-Oxobutyricacid methyl ester;Acetoacetate methyl ester;Methyl 3-oxobutanoate;Methyl3-oxobutyrate;Methyl acetylacetate;

CAS?Number

105-45-3

Molecular Formula

C5H8O3

Molecular Weight

116.117

Density

1.039 g/cm3

Melting Point

-80 °C

Boiling Point

169.4 °C at 760 mmHg

Flash Point

61.6 °C

HS CODE

29183000

PSA

43.37000

LogP

0.13850

Pka

10.67±0.46(Predicted)

What is Methyl acetoacetate (105-45-3) used for?

**Methyl acetoacetate** is a versatile chemical intermediate used in asymmetric hydrogenation reactions, where it achieves high enantiomeric excess (e.g., 98%) with specialized ligands like BICAP. It also serves as a precursor in synthesizing hydrazine-based Schiff bases with demonstrated anti-proliferative activity against cancer cell lines, supported by computational studies. Additionally, it participates in the modification of palladium(II) complexes and the synthesis of isotopically labeled compounds like PQQ, highlighting its utility in catalysis, medicinal chemistry, and isotopic labeling.

InChI:InChI=1/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3

Articles related to Methyl acetoacetate:

Article

Source

Synthesis of methyl acetoacetate from acetone and dimethyl carbonate with alkali-promoted MgO catalysts

Wu, Dudu,Chen, Zhi

, p. 758 - 766 (2010)

-

Royals

, p. 489 (1948)

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