7-Bromo-3-oxoisoindoline-4-carbonitrile

CAS No. 1370467-88-1
Cat. No. CS-0160482
Purity≥97%
MDL No.MFCD27964212

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7-Bromo-3-oxoisoindoline-4-carbonitrile|CS-0160482

Structure of 1370467-88-1

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Description

7-Bromo-3-oxoisoindoline-4-carbonitrile features a brominated isoindoline core with complementary electron-withdrawing nitrile and ketone functionalities. This scaffold enables direct integration into bioactive molecules, offering enhanced metabolic stability and targeted reactivity in medicinal chemistry applications.

Application

7-Bromo-3-oxoisoindoline-4-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to isoindoline-based scaffolds. Its bromine and nitrile functionalities support palladium-catalyzed cross-coupling and nucleophilic transformations, while the ketone group offers sites for reductive amination or enolate chemistry. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns targeting bioactive heterocycles.

General Information

CAS No. 1370467-88-1
Cat. No. CS-0160482
Purity ≥97%
MDL No. MFCD27964212
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅BrN₂O
Molecular Weight 237.05
Synonym(s) 7-Bromo-2,3-dihydro-3-oxo-1H-isoindole-4-carbonitrile
SMILES N#CC1=CC=C(Br)C(CN2)=C1C2=O

Computational Chemistry Data

TPSA 52.89
LogP 1.56418
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Safety Information

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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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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Indolin compounds

Key Words

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7-Bromo-3-oxoisoindoline-4-carbonitrile

CAS No. 1370467-88-1

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