CAS 898772-68-4

1-[5-(1,3-Dioxolan-2-yl)-2-thienyl]-1,6-heptanedione

Description:

1-[5-(1,3-Dioxolan-2-yl)-2-thienyl]-1,6-heptanedione, with the CAS number 898772-68-4, is an organic compound characterized by its unique structural features, including a dioxolane ring and a thienyl group. This compound typically exhibits properties associated with both ketones and heterocycles, which may influence its reactivity and interactions. The presence of the dioxolane moiety suggests potential for solubility in polar solvents, while the thienyl group may impart aromatic characteristics and contribute to electronic properties. As a heptanedione, it contains two carbonyl functional groups, which can participate in various chemical reactions, including condensation and nucleophilic addition. The compound's structure may also allow for interesting biological activities, making it a candidate for further research in medicinal chemistry. Overall, its unique combination of functional groups and structural elements positions it as a versatile compound in organic synthesis and potential applications in pharmaceuticals or materials science.

Formula: C₁₄H₁₈O₄S

InChI: InChI=1S/C14H18O4S/c1-10(15)4-2-3-5-11(16)12-6-7-13(19-12)14-17-8-9-18-14/h6-7,14H,2-5,8-9H2,1H3

InChI key: InChIKey=OVVQMXVTVQANEN-UHFFFAOYSA-N

SMILES: C(CCCCC(C)=O)(=O)C=1SC(=CC1)C2OCCO2

Synonyms:

• 1,6-Heptanedione, 1-[5-(1,3-dioxolan-2-yl)-2-thienyl]-
• 1-[5-(1,3-Dioxolan-2-yl)-2-thienyl]-1,6-heptanedione