butyl 2-cyanoacetate(CAS: 5459-58-5)

CAS Number
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Basic Information
Molecular Formula
C7H11NO2
Molecular Weight
130.19 g/mol
Physical Properties
Melting Point
-80
Boiling Point
231°C(lit.)
Chemical Identifiers
SMILES
CCCCOC(=O)CC#N
InChIKey
BTMVHUNTONAYDX-UHFFFAOYSA-N
Database References
MDL Number
MFCD00001941
Beilstein Registry Number
1761735
FAQ
Butyl 2-cyanoacetate (CAS: 5459-58-5) is a colorless to slightly yellow liquid with a molecular weight of approximately 148.23 g/mol. It has a pungent odor and is soluble in common organic solvents such as ethanol, acetone, and ethyl acetate. Chemically, it is reactive towards nucleophiles and can undergo hydrolysis and condensation reactions. It has a melting point of -30°C and a boiling point of 108°C.
Butyl 2-cyanoacetate (CAS: 5459-58-5) is synthesized via a Grignard reaction or a cyanation process. The Grignard synthesis involves butyl bromide reacting with a cyanoacetate ion, often catalyzed by a suitable base. The cyanation process typically uses sodium cyanide in the presence of an alcohol like ethanol, followed by esterification with a carboxylic acid.
Butyl 2-cyanoacetate (CAS: 5459-58-5) is used in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It is also employed in the polymer industry as a monomer or modifier, in sensors for its reactivity, and in the semiconductor industry for specific applications requiring reactive species.
When handling butyl 2-cyanoacetate (CAS: 5459-58-5), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood. Ensure proper containment to prevent spills, and follow local safety guidelines for disposal. Refer to the safety data sheet (SDS) for detailed handling 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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