Description

1,3-Dioxoisoindolin-2-yl octanoate (CAS No. 116709-91-2) is a high-purity chemical compound with the molecular formula C₁₆H₁₉NO₄. This specialized ester derivative of isoindoline is widely utilized in pharmaceutical and organic synthesis research due to its unique structural properties. The compound features a 1,3-dioxoisoindolin-2-yl moiety coupled with an octanoate ester group, offering versatile reactivity for nucleophilic substitutions and other transformations. Our product is rigorously tested to ensure >98% purity by HPLC, with detailed analytical data (NMR, MS) available upon request. Supplied in amber glass vials under inert atmosphere to ensure stability, this compound is ideal for researchers developing novel bioactive molecules or studying esterase-sensitive prodrug systems.

Properties

• CAS Number: 116709-91-2
• Complexity: 383
• IUPAC Name: (1,3-dioxoisoindolin-2-yl) octanoate
• InChI: InChI=1S/C16H19NO4/c1-2-3-4-5-6-11-14(18)21-17-15(19)12-9-7-8-10-13(12)16(17)20/h7-10H,2-6,11H2,1H3
• InChI Key: VSPMAKOKDCJPQV-UHFFFAOYSA-N
• Exact Mass: 289.13140809
• Molecular Formula: C16H19NO4
• Molecular Weight: 289.33
• SMILES: CCCCCCCC(=O)ON1C(=O)C2=CC=CC=C2C1=O
• Topological: 63.7
• Monoisotopic Mass: 289.13140809
• Synonyms: 1,3-dioxoisoindolin-2-yl octanoate, 116709-91-2, SCHEMBL3678799, H41872, EN300-6513663, 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl octanoate, 1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOL-2-YL OCTANOATE

Application

1,3-Dioxoisoindolin-2-yl octanoate serves as a key intermediate in the synthesis of pharmacologically active compounds, particularly in prodrug development where controlled release of active moieties is required. Researchers utilize this compound to study enzyme-triggered hydrolysis mechanisms due to its esterase-sensitive properties. The octanoate ester group provides enhanced lipophilicity, making it valuable for bioavailability enhancement studies in drug discovery programs.

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