Diethyl 1,3-acetonedicarboxylate, CAS No. 105-50-0

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105-50-0

Catalog No. EBD33004

CAS 105-50-0

Name Diethyl 1,3-acetonedicarboxylate

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Basic Information

Synonyms: Diethyl3-oxoglutarate Diethyl1,3-acetonedicarboxylate diethyl3-ketoglutarate diethylacetone-1,3-dicarboxylate diethylacetonedicarboxylate ethylacetonedicarboxylate 1,3-acetonedicarboxylicaciddiethylester acetonedicarboxylicaciddiethylester Diethyl3-oxopentanedioate Diethyl-1,3-Acetonedicarboxyalte Diethyl-3-oxo-pentanedionate Acetone-1,3-dicarboxylicaciddiethylester 1,3-AcetonedicarboxylicaciddiethylesterDiethyl3-oxoglutarate 3-oxo-pentanedioicacidiethylester Diethyl-1,3-acetonedicarboxylate diethylacetylpropanedioate Diethyl1,3-Acetonedicarboxylate；Diethyl3-Oxoglutarate Diethyl1,3-acetonedicarboxyl

Molecular Formula: C9H14O5

Molecular Weight: 202.2

MDL Number: MFCD00009200

Categories: Synthetic Chemistry > Organic Building Blocks > Carboxylic Acids and Esters Medicinal Chemistry > Pharmaceutical Intermediates > Heterocyclic Intermediates

Product Description:

Diethyl acetone-1,3-dicarboxylate, also known as diethyl 2-oxoglutarate, is a versatile organic compound characterized by its two ester groups flanking a central ketone. It serves as a crucial building block in organic synthesis, particularly valued for its role as a 1,3-dicarbonyl synthon. Its primary application is in the synthesis of heterocyclic compounds. It is a key starting material for the preparation of pyridine, pyrrole, and pyrimidine derivatives through various condensation reactions, such as the Hantzsch synthesis. These heterocyclic cores are fundamental scaffolds in numerous pharmaceuticals, making this ester a significant intermediate in medicinal chemistry for developing drug candidates. The compound is commercially available and typically handled as a liquid. Standard laboratory safety precautions should be observed due to its potential irritant properties.

Physical Properties

Boiling Point: 250 °C(lit.)

Flash Point: 71 °C

Density: 1.113 g/mL at 25 °C(lit.)

Solubility: 10 g/L (20 ºC)

Refractivity: n20/D 1.440(lit.)

Storage: 2-8°C

Analytical Data

Appearance: clear colorless to pale yellow liquid