Diethyl oxalacetate sodium salt
CAS40876-98-0
Diethyl oxalacetate sodium salt (CAS 40876-98-0) is the sodium enolate of diethyl oxaloacetate, a solid C4 1,3-dicarbonyl building block. It condenses with hydrazines, amines and aldehydes to give pyrazole-3-carboxylates, pyranopyrazoles and pyrrolidine-2,3-diones, and serves as an intermediate for oxaloacetic acid and pharmaceutical compounds. KingPharm supplies diethyl oxalacetate sodium salt for research and manufacturing with a batch-specific certificate of analysis.
- CAS No.
- 40876-98-0
- Formula
- C8H11NaO5
- Mol. weight
- 210.16 g/mol
- Purity
- 95.0 GC
- Appearance
- White or Light-yellow Solid
Product Description
Diethyl oxalacetate sodium salt (C8H11NaO5, MW 210.16) is the sodium salt of diethyl 2-oxobutanedioate, in which the acidic C3 methylene is deprotonated to form a stabilized enolate. It is typically a beige to light orange crystalline powder with a reported melting point of 188-190 °C and is slightly soluble in water.
The molecule carries an alpha-keto ester and a second ester arranged as a 1,3-dicarbonyl system. The ketone and adjacent ester carbonyls act as a bis-electrophile toward binucleophiles such as hydrazines, giving 5-hydroxypyrazole-3-carboxylates, while the enolate carbon can add to aldehydes or imines, enabling multicomponent routes to pyranopyrazoles and 2,3-dioxopyrrolidines.
Compared with free diethyl oxaloacetate, the sodium salt is an isolable solid that is convenient to weigh and charge, and it can be used directly in many condensations or neutralised with acid to release the free ester when required.
For purchasing, the key points are assay, appearance, and water content, since the material is moisture sensitive. Packaging should be sealed and protected from moisture, and each batch should be checked against its certificate of analysis before use.
Chemical Specifications
Identifiers
| CAS number | 40876-98-0 |
|---|---|
| Product name | Diethyl oxalacetate sodium salt |
| Chinese name | 草酰乙酸二乙酯钠盐 |
| Synonyms | Diethyl oxalacetate sodium; Diethyl oxalacetate sodium salt; Diethyl oxo succinate sodium salt; Ethyl oxalacetate sodium salt; Oxalacetic acid diethyl ester sodium salt; Sodium ethyl oxalacetate; Sodium diethyl oxalacetate |
| Chinese synonyms | 草酰乙酸乙酯钠盐; 草醋酸二乙酯钠盐; 二乙基草酰乙酸钠; 丁酮二酸二乙酯 钠盐; 草乙酸二乙酯 钠盐 |
| Molecular formula | C8H11NaO5 |
| Molecular weight | 210.16 g/mol |
| EC number | 255-122-9 |
Specification
| Test | Specification | Method |
|---|---|---|
| Melting Point | 188.0-190.0(内) | 熔点 |
| Appearance | White or Light-yellow Solid | 外观-4.1.3 |
| Purity | 95.0 GC | 纯度（GC） |
| Loss on Drying | 0.50 | 干失 |
Physical and chemical properties
| Appearance | White or Light-yellow crystalline |
|---|---|
| Melting Point | 189-190 ( ℃ ) |
Applications
Diethyl oxalacetate sodium salt is mainly used as a C4 building block in heterocycle and intermediate synthesis.
Pyrazole carboxylates
Reacts with hydrazine or hydrazine salts in ethanol to give ethyl 5-hydroxy-1H-pyrazole-3-carboxylate and related substituted pyrazoles.
Multicomponent pyranopyrazoles
Combines with aldehydes or isatins, malononitrile and hydrazine hydrate in one-pot reactions to give pyrano[2,3-c]pyrazole scaffolds.
Pyrrolidine-2,3-diones
Reacts with aldehydes and primary amines to form 4-carboxy-5-substituted 2,3-dioxopyrrolidines used as medicinal chemistry intermediates.
Oxaloacetic acid and API intermediates
Serves as a precursor for oxaloacetic acid and as an intermediate in pharmaceutical synthesis.
Quality Documentation
The following documents can be provided for Diethyl oxalacetate sodium salt to support technical evaluation and purchasing. Documents are issued for the specific grade and batch supplied.
-
Certificate of Analysis (COA) Batch-specific test results against the specification.
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Product specification The release specification with test items, limits and methods.
Packaging, Storage & Transport
| Available pack sizes | 25 kg, 10 kg, 1 kg, 500 g, 100 g, 25 g |
|---|
Read the current safety data sheet before handling. Packaging can be adapted to the order quantity and destination.
Frequently Asked Questions
Should I use the sodium salt or free diethyl oxaloacetate?
The sodium salt is a solid that is easier to weigh and store; many condensations use it directly, and it can be neutralised with acid when the free ester is needed.
Does it need to be neutralised before reacting with hydrazines?
Not always; it is often used together with a hydrazine salt or in the presence of acetic acid, which liberates the reactive dicarbonyl in situ.
How should diethyl oxalacetate sodium salt be stored?
It is moisture sensitive; keep it tightly closed under inert atmosphere at room temperature, away from water and oxidizing agents.
What is the CAS number of Diethyl oxalacetate sodium salt?
The CAS Registry Number of Diethyl oxalacetate sodium salt is 40876-98-0. Diethyl oxalacetate sodium salt is also known as Diethyl oxalacetate sodium; Diethyl oxalacetate sodium salt; Diethyl oxo succinate sodium salt.
What is the molecular formula and molecular weight of Diethyl oxalacetate sodium salt?
The molecular formula of Diethyl oxalacetate sodium salt is C8H11NaO5, and its molecular weight is 210.16 g/mol.
What is Diethyl oxalacetate sodium salt used for?
Diethyl oxalacetate sodium salt is mainly used as a C4 building block in heterocycle and intermediate synthesis.
Which quality documents are available for Diethyl oxalacetate sodium salt?
The following documents are available for Diethyl oxalacetate sodium salt: Certificate of Analysis (COA); Product specification. Contact KingPharm to request the documents for a specific batch.
How can I request a quotation for Diethyl oxalacetate sodium salt?
Send an inquiry for Diethyl oxalacetate sodium salt (CAS 40876-98-0) with the required quantity, target specification, destination country and any documentation requirements. KingPharm will confirm availability, packaging, lead time and price.
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Page last reviewed on by Leo Xiao.