Description

1,3-Dioxoisoindolin-2-yl 3,3-dimethylbutanoate (CAS No. 1894176-78-3) is a high-purity organic compound with the molecular formula C₁₄H₁₅NO₄. This specialized chemical features a 1,3-dioxoisoindolin-2-yl (phthalimide) moiety esterified with 3,3-dimethylbutanoic acid, offering unique reactivity for synthetic applications. With a molecular weight of 261.27 g/mol, this white to off-white crystalline powder is ideal for pharmaceutical intermediates, peptide synthesis, and materials science research. Our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied in sealed, light-resistant containers under inert atmosphere to guarantee stability. Technical data including ¹H/¹³C NMR spectra, HPLC chromatograms, and MSDS are available upon request.

Properties

• CAS Number: 1894176-78-3
• Complexity: 386
• IUPAC Name: (1,3-dioxoisoindolin-2-yl) 3,3-dimethylbutanoate
• InChI: InChI=1S/C14H15NO4/c1-14(2,3)8-11(16)19-15-12(17)9-6-4-5-7-10(9)13(15)18/h4-7H,8H2,1-3H3
• InChI Key: DUSMTZBBCUVXEZ-UHFFFAOYSA-N
• Exact Mass: 261.10010796
• Molecular Formula: C14H15NO4
• Molecular Weight: 261.27
• SMILES: CC(C)(C)CC(=O)ON1C(=O)C2=CC=CC=C2C1=O
• Topological: 63.7
• Monoisotopic Mass: 261.10010796
• Synonyms: 1,3-Dioxoisoindolin-2-yl 3,3-dimethylbutanoate, 1894176-78-3, MFCD32798319, 1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL 3,3-DIMETHYLBUTANOATE, SCHEMBL21684973, SY365280, F71841, (1,3-dioxoisoindol-2-yl) 3,3-dimethylbutanoate, EN300-6513173

Application

This compound serves as a versatile building block in organic synthesis, particularly for introducing the 3,3-dimethylbutyryl group in pharmaceutical intermediates. Researchers utilize it in the development of protease inhibitors and as a protected amino acid derivative in peptide chemistry. The phthalimide moiety provides excellent leaving group characteristics for nucleophilic substitution reactions.

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