105-45-3
105-45-3
Chemical Structure
Methyl acetylacetate
Synonym(s): Acetoacetate methyl ester; Methyl 3-oxobutanoate; Methyl acetoacetate
- CAS No.: 105-45-3
- Formula:C5H8O3
- Molecular Weight:116.12
IUPAC Name: methyl 3-oxobutanoate
InChIKey: WRQNANDWMGAFTP-UHFFFAOYSA-N
SMILES: CC(CC(OC)=O)=O
Biological Activity: 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].
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Methyl acetylacetate | 99.86% | 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. | ||||||||||||||||||||
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Methyl acetylacetate (Standard) | ≥98% | Methyl acetylacetate (Standard) is the analytical standard of Methyl acetylacetate. This product is intended for research and analytical applications. Methyl acetylacetate is an endogenous metabolite. | ||||||||||||||||||||
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Methyl acetylacetate-d3 | 95.0% | Methyl acetylacetate-d3 (Acetoacetate methyl ester-d3) is a deuterium labeled Methyl acetylacetate (HY-Y1298). Methyl acetylacetate is an endogenous metabolite. | ||||||||||||||||||||
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References
- [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. [Content Brief]
- [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. [Content Brief]
