Methyl acetylacetate

Methyl acetylacetate is a chemical reagent used in the synthesis of pharmaceuticals for the synthesis of α-substituted acetoacetate and cyclic compounds such as pyrazole, pyrimidine, and coumarin derivatives. Methyl acetoacetate can be used in the study of inflammatory diseases[1][2][3].

Product Specifications

CAS Number

[105-45-3]

Product Name Alternative

Acetoacetate methyl ester; Methyl 3-oxobutanoate; Methyl acetoacetate

UNSPSC

12352211

Hazard Statement

H227, H319

Target

Endogenous Metabolite

Type

Natural Products

Related Pathways

Metabolic Enzyme/Protease

Applications

Metabolism-protein/nucleotide metabolism

Field of Research

Metabolic Disease; Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/methyl-acetylacetate.html

Purity

99.86

Solubility

DMSO : 100 mg/mL (ultrasonic) |H2O : 100 mg/mL (ultrasonic)

Smiles

CC(CC(OC)=O)=O

Molecular Formula

C5H8O3

Molecular Weight

116.12

Precautions

H227, H319

References & Citations

[1]Folkendt M M, et al. Gas-phase proton NMR studies of keto-enol tautomerism of acetylacetone, methyl acetoacetate, and ethyl acetoacetate. The Journal of Physical Chemistry, 1985, 89 (15) : 3347-3352.|[2]Api AM, et al. RIFM fragrance ingredient safety assessment, methyl acetoacetate, CAS Registry Number 105-45-3. Food Chem Toxicol. 2019 Dec;134 Suppl 1:110615.|[3]Tozkoparan B, et al. Synthesis and anti-inflammatory activities of some thiazolo[3,2-a]pyrimidine derivatives. Farmaco. 1999 Sep 30;54 (9) :588-93.