4-Amino-7-bromoisoindolin-1-one

CAS No. 866767-08-0
Cat. No. CS-0081822
Molecule weight227.06
Purity≥97%
MDL No.MFCD18909279

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4-Amino-7-bromoisoindolin-1-one|CS-0081822

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General Information

CAS No. 866767-08-0
Cat. No. CS-0081822
Purity ≥97%
MDL No. MFCD18909279
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇BrN₂O
Molecular Weight 227.06
Synonym(s) 4-Amino-7-bromo-2,3-dihydro-1H-isoindol-1-one
SMILES NC1=C2C(C(NC2)=O)=C(Br)C=C1

Description

4-Amino-7-bromoisoindolin-1-one features a brominated isoindolinone core paired with a strategically positioned amino group, enabling direct incorporation into bioactive scaffolds. This electron-rich heterocycle exhibits enhanced solubility and stability under standard conditions, facilitating efficient coupling reactions in medicinal chemistry and materials synthesis.

Application

4-Amino-7-bromoisoindolin-1-one serves as a versatile building block for medicinal chemistry and materials science, enabling efficient access to functionalized isoindolinone scaffolds. The bromine at C7 facilitates palladium-catalyzed cross-coupling reactions, while the amino group supports derivatization via acylation or electrophilic substitution. Its bench-stable crystalline form and compatibility with diverse reaction conditions make it ideal for iterative synthesis in API development and heterocyclic library construction.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

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Computational Chemistry Data

TPSA 55.12
LogP 1.2747
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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4-Amino-7-bromoisoindolin-1-one

CAS No. 866767-08-0

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