1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 2-methylpropanoate

Name: 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 2-methylpropanoate
Brand: ChemScene
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CAS No. 1631179-23-1
Cat. No. CS-0652834
Purity≥97%
MDL No.None

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1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 2-methylpropanoate|CS-0652834

Structure of 1631179-23-1

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General Information

CAS No. 1631179-23-1
Cat. No. CS-0652834
Purity ≥97%
MDL No. None
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₁NO₄
Molecular Weight 233.22
Synonym(s) None
SMILES CC(C)C(ON(C(C1=C2C=CC=C1)=O)C2=O)=O

Description

This 1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl 2-methylpropanoate features a sterically hindered isobutyrate ester linked to a reactive isoindolinone core. The electron-deficient carbonyl system enhances its utility in nucleophilic displacement reactions and cycloadditions. Bench-stable under standard conditions, it serves as a key building block for heterocyclic synthesis and materials chemistry applications.

Application

1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 2-methylpropanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to isoindolinone scaffolds through standard deprotection and cyclization protocols. Its robust bench stability and compatibility with diverse functional groups facilitate straightforward purification and integration into multi-step syntheses. The molecule functions effectively in coupling reactions and provides a reliable route to medicinally relevant heterocycles.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

TPSA 63.68
LogP 1.3968
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Key Words

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1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 2-methylpropanoate

CAS No. 1631179-23-1

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