Description

1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl propanoate (CAS No. 90467-37-1) is a high-purity organic compound with the molecular formula C₁₁H₉NO₄ and IUPAC name (1,3-dioxoisoindol-2-yl) propanoate. This specialized chemical features a phthalimide core functionalized with a propionate ester group, offering unique reactivity for synthetic applications. With a molecular weight of 219.19 g/mol, this white to off-white crystalline powder is ideal for researchers in medicinal chemistry, polymer science, and materials research. The compound is supplied with comprehensive analytical data including ¹H NMR, ¹³C NMR, HPLC, and mass spectrometry for quality verification. Store in a cool, dry place at 2-8°C under inert atmosphere for optimal stability. Available in research quantities from 100mg to 10g with custom bulk options available upon request.

Properties

• CAS Number: 90467-37-1
• Complexity: 315
• IUPAC Name: (1,3-dioxoisoindolin-2-yl) propanoate
• InChI: InChI=1S/C11H9NO4/c1-2-9(13)16-12-10(14)7-5-3-4-6-8(7)11(12)15/h3-6H,2H2,1H3
• InChI Key: ZJQHNUUDZCLUIP-UHFFFAOYSA-N
• Exact Mass: 219.05315777
• Molecular Formula: C11H9NO4
• Molecular Weight: 219.19
• SMILES: CCC(=O)ON1C(=O)C2=CC=CC=C2C1=O
• Topological: 63.7
• Monoisotopic Mass: 219.05315777
• Synonyms: 90467-37-1, 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl propanoate, 959-568-1, 1,3-DIOXOISOINDOLIN-2-YL PROPIONATE, phthalimido propionate, SCHEMBL3674674, AT36907, DB-161925, EN300-6513123

Application

This phthalimide derivative serves as a versatile building block in organic synthesis, particularly for the development of pharmaceutical intermediates and functional materials. Researchers utilize its reactive ester moiety for nucleophilic substitution reactions to create novel amide derivatives. The compound finds application in polymer chemistry as a potential monomer for heat-resistant materials. Its structural features make it valuable for studying protease inhibition mechanisms in biochemical research.

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.