Sodium 1,4-diethoxy-1,4-dioxo-2-butanolate

Basic Information

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CAS Number

40876-98-0

Molecular Formula

C8H13NaO5

Molecular Weight

210.16 g/mol

EINECS

255-122-9

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

188-190 °C

Water Solubility

Slightly soluble in water (1.2 g/L) (25°C).

SMILES

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[Na+].CCOC(=O)C=C([O-])C(=O)OCC

InChI

InChI=1S/C8H13O5.Na/c1-3-12-7(10)5-6(9)8(11)13-4-2;/h6H,3-5H2,1-2H3;/q-1;+1

InChIKey

PACMHGAHAZERQD-UHFFFAOYSA-N

LogP

0.42700

Complexity

224

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Moisture Sensitive

Toxicity

rat,LD,oral,> 500mg/kg (500mg/kg),National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 9, 1953.

Synonyms & References

English

ETHYL SODIUM OXALACETATE
ETHYL SODIUM OXALOACETATE
OXALACETIC ACID DIETHYL ESTER SODIUM*PRA CTICAL GRAD
DiethyloxalacetateSodiumSalt98%
Diethyl oxalacetate sodium salt, pract., 95%
diethyl oxaloacetate, monosodium salt
DIEHTYLOXALACETATESODIUMSALT
Diethyl oxalacetate, Diethyl oxaloacetate, Diethyl oxosuccinate sodium salt, Oxalacetic acid diethyl ester sodium salt, Sodium diethyl oxalacetate
Sodium-1,4-diethoxy-1,4-dioxobut-2-en-2-olate
Diethyl oxalacetate sodium salt
Oxalacetic Acid Diethyl Ester Sodium Salt
Sodium 1,4-diethoxy-1,4-dioxobut-2-en-2-olate
diethyl 2-oxosuccinate sodium salt
DIETHYL OXALACETATE SODIUM
diethyl oxaloacetate sodium salt
diethylsodiumoxalacetate
ETHYL OXALACETATE SODIUM SALT
Oxalacetic Acid Diethyl Ester Sodium Sa
sodium diethyl 2-oxosuccinate
Sodium Diethyl Oxalacetate
SODIUM DIETHYL OXALOACETATE
sodium diethyl oxalylacetate
SODIUM ETHYL OXALACETATE
Diethyl oxalacetate
Butanedioicacid, oxo-, diethyl ester, ion(1-), sodium (9CI)
2-(Oxo)succinic acid diethyl estermonosodium salt
Diethyl 2-hydroxy-2-butenedioate sodium salt
Diethyl oxobutanedioate sodium salt
Diethylsodiooxalacetate
Sodiumdiethyl oxobutanedioate
Diethyloxalacetate sodium salt

MDL Number

MFCD00035571

EC Number

255-122-9

Customs Code

29183000

FAQ

What are the physical and chemical properties of Sodium 1,4-diethoxy-1,4-dioxo-2-butanolate (CAS: 40876-98-0)?

Sodium 1,4-diethoxy-1,4-dioxo-2-butanolate (CAS: 40876-98-0) is a crystalline solid with a molecular weight of approximately 244.27 g/mol. It is moderately soluble in water and ethanol but poorly soluble in hydrocarbons. Chemically, it is a strong base and readily reacts with acids, showing reactivity typical of alkoxide salts.

How is Sodium 1,4-diethoxy-1,4-dioxo-2-butanolate (CAS: 40876-98-0) typically synthesized?

Sodium 1,4-diethoxy-1,4-dioxo-2-butanolate is typically synthesized by treating 1,4-diethoxy-1,4-dioxo-2-butanone with sodium in an inert solvent like THF. The reaction is exothermic and requires careful control of temperature and environment to ensure high yield and selectivity.

What industries use Sodium 1,4-diethoxy-1,4-dioxo-2-butanolate (CAS: 40876-98-0)?

Sodium 1,4-diethoxy-1,4-dioxo-2-butanolate (CAS: 40876-98-0) is primarily used in the pharmaceutical industry for its reactivity and as a protective group in organic synthesis. It also finds applications in chemical research and the production of certain polymer materials.

What precautions should be taken when handling Sodium 1,4-diethoxy-1,4-dioxo-2-butanolate (CAS: 40876-98-0)?

When handling Sodium 1,4-diethoxy-1,4-dioxo-2-butanolate (CAS: 40876-98-0), it is essential to use personal protective equipment such as gloves, goggles, and lab coat. Storage should be in a cool, dry place away from acids and oxidizers. In case of a spill, neutralize with an appropriate base and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed information.