CAS 10359-15-6

Butanedioic acid, 2-cyano-, 1,4-diethyl ester

Description:

Butanedioic acid, 2-cyano-, 1,4-diethyl ester, also known as diethyl 2-cyano-1,4-butanedioate, is an organic compound characterized by its ester functional groups and a cyano group. It features a butanedioic acid backbone, which is a four-carbon dicarboxylic acid, with two ethyl ester groups attached to the first and fourth carbon atoms. The presence of the cyano group introduces notable reactivity, making it useful in various synthetic applications, particularly in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and form. It is soluble in organic solvents and may exhibit moderate toxicity, necessitating careful handling. Its chemical structure allows for participation in nucleophilic reactions, making it a versatile building block in the synthesis of more complex molecules. As with many organic compounds, it should be stored in a cool, dry place away from incompatible substances.

Formula: C₉H₁₃NO₄

InChI: InChI=1S/C9H13NO4/c1-3-13-8(11)5-7(6-10)9(12)14-4-2/h7H,3-5H2,1-2H3

InChI key: InChIKey=BYBZRPDCTRBPTM-UHFFFAOYSA-N

SMILES: C(CC(OCC)=O)(C(OCC)=O)C#N

Synonyms:

• 1,4-Diethyl 2-cyanobutanedioate
• 2-Cyanosuccinic acid diethyl ester
• Butanedioic acid, 2-cyano-, 1,4-diethyl ester
• Butanedioic acid, cyano-, diethyl ester
• Diethyl 2-Cyanobutanedioate
• Diethyl Cyanosuccinate
• Diethyl α-cyanosuccinate
• Diethyl-2-cyanosuccinate
• NSC 79189
• Rarechem Al Bs 0236
• Succinic acid, cyano-, diethyl ester