CAS 1261025-37-9

Propanoic acid, 3-cyano-2-oxo-, ethyl ester, ion(1-), sodium (1:1)

Description:

Propanoic acid, 3-cyano-2-oxo-, ethyl ester, ion(1-), sodium (1:1) is a chemical compound characterized by its ester functional group, which is derived from propanoic acid. This compound features a cyano group (-CN) and a carbonyl group (C=O), contributing to its reactivity and potential applications in organic synthesis. The presence of the sodium ion indicates that this compound exists as a salt, which can enhance its solubility in polar solvents. Typically, such compounds may exhibit properties like moderate to high polarity, making them suitable for various chemical reactions, including nucleophilic substitutions and condensation reactions. The ethyl ester moiety suggests that it may have applications in the synthesis of pharmaceuticals or agrochemicals. Additionally, the presence of the cyano group can impart unique biological activities, making it of interest in medicinal chemistry. Overall, this compound's structure suggests versatility in chemical reactivity and potential utility in various industrial and research applications.

Formula: C₆H₆NO₃·Na

InChI: InChI=1S/C6H6NO3.Na/c1-2-10-6(9)5(8)3-4-7;/h3H,2H2,1H3;/q-1;+1

InChI key: InChIKey=OFVBNFHLHRQPLC-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)([CH-]C#N)=O.[Na+]

Synonyms:

• Ethyl β-cyanopyruvate sodium salt
• Propanoic acid, 3-cyano-2-oxo-, ethyl ester, ion(1-), sodium
• 3-Cyanopyroracemic acid ethyl ester sodium salt
• Propanoic acid, 3-cyano-2-oxo-, ethyl ester, ion(1-), sodium (1:1)
• Pyruvic acid, cyano-, ethyl ester, sodium deriv.