Description

1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl 3-phenylpropanoate (CAS No. 84379-71-5) is a high-purity organic compound with the molecular formula C₁₇H₁₃NO₄. This specialized chemical features a phthalimide core esterified with 3-phenylpropanoic acid, offering unique reactivity for synthetic applications. With a molecular weight of 295.29 g/mol, this white to off-white crystalline powder is ideal for researchers working in pharmaceutical intermediates, organic synthesis, and material science. Our product is rigorously tested for purity (typically ≥95% by HPLC) and is supplied with full analytical documentation including ¹H NMR, ¹³C NMR, and mass spectrometry data. Proper storage at 2-8°C under inert atmosphere is recommended for long-term stability.

Properties

• CAS Number: 84379-71-5
• Complexity: 432
• IUPAC Name: (1,3-dioxoisoindolin-2-yl) 3-phenylpropanoate
• InChI: InChI=1S/C17H13NO4/c19-15(11-10-12-6-2-1-3-7-12)22-18-16(20)13-8-4-5-9-14(13)17(18)21/h1-9H,10-11H2
• InChI Key: JPQIUWUEOYWICT-UHFFFAOYSA-N
• Exact Mass: 295.08445790
• Molecular Formula: C17H13NO4
• Molecular Weight: 295.29
• SMILES: C1=CC=C(C=C1)CCC(=O)ON2C(=O)C3=CC=CC=C3C2=O
• Topological: 63.7
• Monoisotopic Mass: 295.08445790
• Synonyms: 84379-71-5, 1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL 3-PHENYLPROPANOATE, 847-922-7, 1,3-Dioxoisoindolin-2-yl 3-phenylpropanoate, (1,3-dioxoisoindol-2-yl) 3-phenylpropanoate, MFCD02189533, Benzenepropanoic acid phthalimidyl ester, SCHEMBL28557948, JDA37971, F71882, EN300-6514361

Application

This compound serves as a valuable building block in medicinal chemistry, particularly for the synthesis of phthalimide-containing drug candidates. Researchers utilize it as a protected intermediate in peptide mimetic development and as a precursor for bioactive molecules targeting inflammatory pathways. The phenylpropanoate moiety offers opportunities for further functionalization through hydrolysis or transesterification reactions. Its structural features make it particularly interesting for developing protease inhibitors and kinase modulators.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.