Description

1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 2,2-dimethylpropanoate (CAS No. 84379-72-6) is a high-purity organic compound with the molecular formula C₁₃H₁₃NO₄. This specialized chemical, also known as (1,3-dioxoisoindol-2-yl) 2,2-dimethylpropanoate, features an isoindole-1,3-dione core esterified with pivalic acid, offering unique reactivity for synthetic applications. With a molecular weight of 247.25 g/mol, this white to off-white crystalline powder is meticulously synthesized and purified to ≥95% purity (HPLC) for research and industrial use. The compound’s sterically hindered pivalate group enhances stability while maintaining reactivity for nucleophilic substitutions. Packaged under inert gas in amber glass vials or sealed plastic containers, this product is ideal for pharmaceutical intermediates, polymer chemistry, and advanced material science. Each batch is accompanied by comprehensive analytical data including ¹H NMR, ¹³C NMR, HPLC chromatograms, and mass spectrometry results to ensure reproducibility in your experiments.

Properties

• CAS Number: 84379-72-6
• Complexity: 372
• IUPAC Name: (1,3-dioxoisoindolin-2-yl) 2,2-dimethylpropanoate
• InChI: InChI=1S/C13H13NO4/c1-13(2,3)12(17)18-14-10(15)8-6-4-5-7-9(8)11(14)16/h4-7H,1-3H3
• InChI Key: BNNGSUIJCMXEQS-UHFFFAOYSA-N
• Exact Mass: 247.08445790
• Molecular Formula: C13H13NO4
• Molecular Weight: 247.25
• SMILES: CC(C)(C)C(=O)ON1C(=O)C2=CC=CC=C2C1=O
• Topological: 63.7
• Monoisotopic Mass: 247.08445790
• Synonyms: 84379-72-6, 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 2,2-dimethylpropanoate, 1,3-Dioxoisoindolin-2-yl pivalate, Propanoic acid, 2,2-dimethyl-, 1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl ester, 1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL 2,2-DIMETHYLPROPANOATE, (1,3-dioxoisoindol-2-yl) 2,2-dimethylpropanoate, Cambridge id 5233324, Oprea1_375615, SCHEMBL3676987, DTXSID001182786, MFCD00436724, STK078566, AKOS003235301, AS-88158, F71544, EN300-6513134, SR-01000200003, SR-01000200003-1, 2-[(2,2-dimethylpropanoyl)oxy]-1H-isoindole-1,3(2H)-dione

Application

This compound serves as a versatile building block in organic synthesis, particularly for creating phthalimide-protected intermediates in peptide and heterocycle chemistry. The pivaloyl group provides excellent steric protection during multi-step syntheses while allowing clean deprotection under mild conditions. Researchers utilize this reagent in the development of novel pharmaceutical compounds, especially those requiring isoindole-1,3-dione scaffolds. Its unique structure also finds application in polymer chemistry as a monomer for specialty polyimides with enhanced thermal stability.

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.