Description

2-{[(2-Fluorophenyl)carbonyl]oxy}-1H-isoindole-1,3(2H)-dione (CAS No. 681854-32-0) is a high-purity fluorinated isoindole derivative with the molecular formula C₁₅H₈FNO₄. This compound, also known as (1,3-dioxoisoindol-2-yl) 2-fluorobenzoate, features a unique structural motif combining a phthalimide core with a 2-fluorobenzoate ester group. It is supplied as a fine crystalline powder with ≥95% purity (HPLC), ideal for pharmaceutical research, organic synthesis, and material science applications. The product is rigorously characterized by ¹H/¹³C NMR, FT-IR, and mass spectrometry, and is packaged under inert gas to ensure stability. Store at 2-8°C in a tightly sealed container protected from light and moisture.

Properties

• CAS Number: 681854-32-0
• Complexity: 443
• IUPAC Name: (1,3-dioxoisoindolin-2-yl) 2-fluorobenzoate
• InChI: InChI=1S/C15H8FNO4/c16-12-8-4-3-7-11(12)15(20)21-17-13(18)9-5-1-2-6-10(9)14(17)19/h1-8H
• InChI Key: QCLWCICZXQZQMW-UHFFFAOYSA-N
• Exact Mass: 285.04373590
• Molecular Formula: C15H8FNO4
• Molecular Weight: 285.23
• SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)OC(=O)C3=CC=CC=C3F
• Topological: 63.7
• Monoisotopic Mass: 285.04373590
• Synonyms: 2-{[(2-fluorophenyl)carbonyl]oxy}-1H-isoindole-1,3(2H)-dione, 681854-32-0, 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-fluorobenzoate, (1,3-dioxoisoindol-2-yl) 2-fluorobenzoate, QCLWCICZXQZQMW-UHFFFAOYSA-N, STK223792, AKOS003279078, ST4080838, 1,3-dioxobenzo[c]azolin-2-yl 2-fluorobenzoate, EN300-6513762, SR-01000103695, SR-01000103695-1, 2-Fluorobenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester

Application

This fluorinated isoindole derivative serves as a versatile building block in medicinal chemistry, particularly for developing kinase inhibitors and protease-targeting compounds. Researchers utilize it as a photoactive probe in bioconjugation studies due to its UV-responsive phthalimide moiety. The compound’s ester linkage also makes it valuable for controlled-release drug delivery systems and polymer modification studies.

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