Ethyl 2-cyano-3-oxobutanoate

Basic Information

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CAS Number

634-55-9

Molecular Formula

C7H9NO3

Molecular Weight

155.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

105-107°C 15mm

Density

1.12

Water Solubility

Not miscible or difficult to mix in water.

Flash Point

91.2°C

Refractive Index

1.435

SMILES

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CCOC(=O)C(C#N)C(=O)C

InChI

InChI=1S/C7H9NO3/c1-3-11-7(10)6(4-8)5(2)9/h6H,3H2,1-2H3

InChIKey

NWOKVFOTWMZMHL-UHFFFAOYSA-N

LogP

0.27828

Complexity

213

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

CHEBI:51924
Ethyl a-cyanoacetoacetate
I10196
MFCD00043487
Ethyl 2-cyano-3-oxobutanoate #
ETHYL 2-ACETYLCYANOACETATE
NWOKVFOTWMZMHL-UHFFFAOYSA-N
Ethyl 2-cyanoacetoacetate
Q27122992
DTXSID40979569
SY317460
Ethyl alpha-cyanoacetoacetate
Ethyl .alpha.-cyanoacetoacetate
634-55-9
2-cyano-3-oxo-butyric acid ethyl ester
CS-0151901
Ethyl2-acetylcyanoacetate
Ethyl 2-cyanoacetoactate
2-cyanoacetoacetic acid ethyl ester
Butanoic acid, 2-cyano-3-oxo-, ethyl ester
Ethyl 2-cyano-3-oxobutanoate
AS-49426
SCHEMBL3975055
ethyl 2-cyanoacetoacetate, AldrichCPR
FT-0625913
AKOS006220907
?-D-Maltose octaacetate
NS00003250
EC 700-172-3
Ethyl 2-Cyanoacetoacetate, Pract.

MDL Number

MFCD00043487

Customs Code

2926909090

FAQ

What are the physical and chemical properties of Ethyl 2-cyano-3-oxobutanoate (CAS: 634-55-9)?

Ethyl 2-cyano-3-oxobutanoate is a crystalline solid with a molecular weight of approximately 144.15 g/mol. It has a high solubility in organic solvents such as ethanol and acetone but is less soluble in water. The compound is moderately reactive, showing ketone and nitrile functionalities. It is prone to hydrolysis and can undergo nucleophilic substitution reactions.

How is Ethyl 2-cyano-3-oxobutanoate (CAS: 634-55-9) typically synthesized?

Ethyl 2-cyano-3-oxobutanoate can be synthesized via the condensation of ethyl acetoacetate with cyanogen bromide. Commonly, this reaction is catalyzed by a base like potassium carbonate in a polar aprotic solvent. The yield is typically around 75-80%, with good selectivity towards the desired product.

What industries use Ethyl 2-cyano-3-oxobutanoate (CAS: 634-55-9)?

Ethyl 2-cyano-3-oxobutanoate finds applications in pharmaceuticals, where it serves as a precursor in the synthesis of certain drugs. It also plays a role in the production of polymers, particularly in the modification of polymer properties. Additionally, it is used in the development of sensors and semiconductors due to its chemical functionalities.

What precautions should be taken when handling Ethyl 2-cyano-3-oxobutanoate (CAS: 634-55-9)?

When handling Ethyl 2-cyano-3-oxobutanoate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be handled using appropriate absorbents and collected for proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.