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TCI

CAS 40876-98-0

Diethyl Oxalacetate Sodium Salt TCI O0074

Diethyl Oxalacetate Sodium Salt TCI O0074

Chemical Identity

CAS No.
40876-98-0
PubChem
CID 16462971·SID 87574087
Formula
C8H11NaO5
Molecular weight
210.16 g/mol
Purity
>95.0%(T)
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
sodium (Z)-1,4-diethoxy-1,4-dioxobut-2-en-2-olate
SMILES
CCOC(=O)/C=C(/C(=O)OCC)\[O-].[Na+]
InChIKey
UJZUICGIJODKOS-YSMBQZINSA-M
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Diethyl Oxalacetate Sodium Salt from TCI (product code O0074, CAS 40876-98-0) is the sodium salt of diethyl oxalacetate. This small ester compound carries a keto group and two ester groups on one compact carbon framework. Because it is a salt, it exists as a sodium enolate, which is more stable and easier to handle than the free compound. In organic synthesis laboratories it works as a versatile building block. Researchers use it to build new carbon frameworks and to prepare intermediates for medicinal chemistry, agrochemical and functional materials research.

Chemists choose this material mainly for the reactivity of its 1,3-dicarbonyl system. The carbon between the two carbonyl groups is already in enolate form, so in many procedures it reacts with electrophiles without an extra strong base. Because it has both keto and ester groups, it condenses readily with hydrazines, amidines, urea or amines to form heterocyclic rings such as pyrazoles and pyrimidines. It is a solid, so it can be weighed more accurately than volatile liquid reagents. That makes reactions easier to repeat with consistent results from batch to batch.

In Indonesia, this material is relevant to organic chemistry laboratories at universities, research institutes and industrial R&D groups that work on synthesis. Typical users are research groups preparing heterocyclic scaffolds for drug discovery, teams developing agrochemical intermediates and academic laboratories that teach or study condensation and enolate chemistry. Its solid form and stable salt structure suit laboratories that need a dependable reagent they can store and use across several projects.

  • Pyrazole synthesis: the keto and ester groups condense well with hydrazines, giving a direct route to substituted pyrazole rings used in medicinal chemistry research.
  • Pyrimidine construction: reacting the 1,3-dicarbonyl framework with amidines or urea gives pyrimidine-type heterocycles, which are useful scaffolds in pharmaceutical and agrochemical studies.
  • Carbon–carbon bond formation: the preformed sodium enolate reacts with electrophiles without an extra strong base in many procedures, which simplifies building new carbon frameworks.
  • Preparation of synthetic intermediates: its compact, multifunctional structure makes it a practical starting point for intermediates in medicinal chemistry, agrochemical and functional materials research programs.
  • Reproducible condensation studies: as a weighable solid rather than a volatile liquid, it allows accurate stoichiometry, which helps researchers get consistent yields across repeated experiments and method development.

Brand TCI (product code O0074)
CAS number 40876-98-0
Molecular formula —
Purity —
Category Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes see the available options on the product page
Physical form solid (sodium enolate salt)
Storage follow the conditions on the TCI label and Safety Data Sheet

Store Diethyl Oxalacetate Sodium Salt in its original, tightly closed container, in a cool, dry, well-ventilated area away from heat, direct sunlight and incompatible materials such as strong acids and oxidizers. As an enolate salt it may be sensitive to moisture, so close the container promptly after each use and weigh the material quickly. Wear gloves, safety glasses and a lab coat, and handle the powder in a fume hood or ventilated area to avoid breathing in dust. Always check the TCI Safety Data Sheet for specific hazard, storage and disposal instructions before use.

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