Description

2-{[3-(Trifluoromethyl)benzoyl]oxy}-1H-isoindole-1,3(2H)-dione (CAS: 2248319-97-1) is a high-purity, synthetic organic compound with the molecular formula C₁₆H₈F₃NO₄. This specialized chemical features a phthalimide core esterified with a 3-(trifluoromethyl)benzoyl group, offering unique reactivity and stability for advanced research applications. The compound is characterized by its crystalline solid form, high thermal stability, and compatibility with a range of organic solvents. Ideal for pharmaceutical intermediates, material science research, and fluorinated compound synthesis, this product is rigorously tested for purity (typically ≥95% by HPLC) and supplied with comprehensive analytical documentation including ¹H NMR, ¹³C NMR, and mass spectrometry data. Proper storage under inert atmosphere at 2-8°C is recommended to maintain optimal stability.

Properties

• CAS Number: 2248319-97-1
• Complexity: 524
• IUPAC Name: (1,3-dioxoisoindolin-2-yl) 3-(trifluoromethyl)benzoate
• InChI: InChI=1S/C16H8F3NO4/c17-16(18,19)10-5-3-4-9(8-10)15(23)24-20-13(21)11-6-1-2-7-12(11)14(20)22/h1-8H
• InChI Key: BNBDBVIQIHDTIL-UHFFFAOYSA-N
• Exact Mass: 335.04054222
• Molecular Formula: C16H8F3NO4
• Molecular Weight: 335.23
• SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)OC(=O)C3=CC(=CC=C3)C(F)(F)F
• Topological: 63.7
• Monoisotopic Mass: 335.04054222
• Synonyms: BNBDBVIQIHDTIL-UHFFFAOYSA-N, 2248319-97-1, EN300-6516420, 1H-isoindole-1,3(2H)-dione, 2-[[3-(trifluoromethyl)benzoyl]oxy]-, 2-{[3-(trifluoromethyl)benzoyl]oxy}-1H-isoindole-1,3(2H)-dione, 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-(trifluoromethyl)benzoate

Application

This compound serves as a versatile building block in medicinal chemistry for the development of trifluoromethyl-containing pharmaceuticals. Researchers utilize it as a key intermediate in the synthesis of protease inhibitors and other bioactive molecules targeting neurological disorders. The phthalimide moiety enables participation in nucleophilic substitution reactions, while the trifluoromethyl group enhances metabolic stability in drug candidates. It’s particularly valuable for studying structure-activity relationships in drug design.

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