CAS 57963-12-9

2-[[2-(Bromomethyl)-1,3-dioxolan-2-yl]methyl]-1H-isoindole-1,3(2H)-dione

Description:

2-[[2-(Bromomethyl)-1,3-dioxolan-2-yl]methyl]-1H-isoindole-1,3(2H)-dione, with the CAS number 57963-12-9, is a chemical compound characterized by its complex structure that includes an isoindole moiety and a dioxolane ring. This compound typically exhibits properties associated with both the isoindole and dioxolane functional groups, such as potential reactivity due to the presence of the bromomethyl group, which can participate in nucleophilic substitution reactions. The dioxolane ring contributes to the compound's stability and solubility in various solvents. Additionally, the presence of the isoindole structure may impart biological activity, making it of interest in medicinal chemistry. The compound's molecular interactions, including hydrogen bonding and π-π stacking, can influence its behavior in biological systems and its potential applications in drug development. Overall, this compound's unique structural features suggest it may have diverse applications in organic synthesis and pharmaceuticals.

Formula: C₁₃H₁₂BrNO₄

InChI: InChI=1S/C13H12BrNO4/c14-7-13(18-5-6-19-13)8-15-11(16)9-3-1-2-4-10(9)12(15)17/h1-4H,5-8H2

InChI key: InChIKey=HAWRFUOUYGFNKE-UHFFFAOYSA-N

SMILES: C(N1C(=O)C=2C(C1=O)=CC=CC2)C3(CBr)OCCO3

Synonyms:

• 1H-Isoindole-1,3(2H)-dione, 2-[[2-(bromomethyl)-1,3-dioxolan-2-yl]methyl]-
• 2-[[2-(Bromomethyl)-1,3-dioxolan-2-yl]methyl]-2,3-dihydro-1H-isoindole-1,3-dione
• 2-[[2-(Bromomethyl)-1,3-dioxolan-2-yl]methyl]-1H-isoindole-1,3(2H)-dione