Description

1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl 2-methylpropanoate (CAS No. 1631179-23-1) is a high-purity synthetic compound with the molecular formula C₁₂H₁₁NO₄ and an IUPAC name of (1,3-dioxoisoindol-2-yl) 2-methylpropanoate. This specialized chemical features an isoindoline-1,3-dione core esterified with an isobutyrate moiety, offering unique reactivity for advanced organic synthesis and pharmaceutical research. With a molecular weight of 233.22 g/mol, this white to off-white crystalline powder is meticulously purified to ≥95% (HPLC) for consistent performance in demanding applications. The compound is supplied in amber glass vials under inert atmosphere to ensure stability and longevity. Researchers value this reagent for its role as a versatile building block in heterocyclic chemistry, particularly in the development of novel phthalimide derivatives with potential bioactive properties. Store tightly sealed at 2-8°C in a dry environment to maintain optimal quality.

Properties

• CAS Number: 1631179-23-1
• Complexity: 340
• IUPAC Name: (1,3-dioxoisoindolin-2-yl) 2-methylpropanoate
• InChI: InChI=1S/C12H11NO4/c1-7(2)12(16)17-13-10(14)8-5-3-4-6-9(8)11(13)15/h3-7H,1-2H3
• InChI Key: RHRVSKAAIXMYLC-UHFFFAOYSA-N
• Exact Mass: 233.06880783
• Molecular Formula: C12H11NO4
• Molecular Weight: 233.22
• SMILES: CC(C)C(=O)ON1C(=O)C2=CC=CC=C2C1=O
• Topological: 63.7
• Monoisotopic Mass: 233.06880783
• Synonyms: 1631179-23-1, 1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL 2-METHYLPROPANOATE, 967-816-5, 1,3-Dioxoisoindolin-2-yl isobutyrate, SCHEMBL3676819, MFCD32797618, (1,3-dioxoisoindol-2-yl) 2-methylpropanoate, 1 pound not3-Dioxoisoindolin-2-yl isobutyrate, F71535, EN300-6513128

Application

This compound serves as a key intermediate in the synthesis of phthalimide-based pharmaceuticals and agrochemicals. Researchers utilize it in the development of novel anti-inflammatory and anticancer agents due to its reactive ester functionality. The molecule’s unique structure also finds application in materials science for creating specialized polymers with tailored thermal and optical properties. Its stability under acidic conditions makes it valuable for controlled-release formulations in drug delivery systems.

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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