5-Bromo-2-methylisoindolin-1-one

Name: 5-Bromo-2-methylisoindolin-1-one
Brand: ChemScene
Availability: InStock
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CAS No. 868066-91-5
Cat. No. CS-W022312
Purity≥95%
MDL No.MFCD12755780

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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5-Bromo-2-methylisoindolin-1-one|CS-W022312

Structure of 868066-91-5

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Description

5-Bromo-2-methylisoindolin-1-one features a brominated isoindolinone core with a methyl group at the 2-position, delivering enhanced reactivity in transition-metal-catalyzed cross-coupling reactions. This bench-stable, moisture-tolerant scaffold integrates readily into complex molecular architectures, enabling efficient access to functionalized heterocycles for medicinal chemistry and materials science applications.

Application

5-Bromo-2-methylisoindolin-1-one serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C5 position via palladium-catalyzed cross-coupling. Its isoindolin-1-one core provides a rigid, electron-deficient scaffold suitable for constructing bioactive heterocycles. The bromo group offers high reactivity in standard coupling protocols, while the methyl substituent enhances solubility and modulates electronic properties. Bench-stable and readily purified by recrystallization, it functions effectively in multi-step synthesis of pharmaceutical intermediates.

General Information

CAS No. 868066-91-5
Cat. No. CS-W022312
Purity ≥95%
MDL No. MFCD12755780
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈BrNO
Molecular Weight 226.07
Synonym(s) 5-bromo-2-methyl-1-oxo-isoindoline
SMILES CN1CC2=C(C=CC(Br)=C2)C1=O

Computational Chemistry Data

TPSA 20.31
LogP 2.0347
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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5-Bromo-2-methylisoindolin-1-one

CAS No. 868066-91-5

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