Ethyl 2-cyano-3-oxobutanoate(CAS: 634-55-9)

CAS Number
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Basic Information
Molecular Formula
C7H9NO3
Molecular Weight
155.15 g/mol
Physical Properties
Boiling Point
105-107°C 15mm
Density
1.12
Flash Point
91.2°C
Water Solubility
Not miscible or difficult to mix in water.
Chemical Identifiers
SMILES
CCOC(=O)C(C#N)C(=O)C
InChIKey
NWOKVFOTWMZMHL-UHFFFAOYSA-N
Database References
MDL Number
MFCD00043487
FAQ
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.
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.
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.
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.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
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