6-Bromo-2-methylisoquinolin-1(2H)-one

Name: 6-Bromo-2-methylisoquinolin-1(2H)-one
Brand: ChemScene
Availability: InStock
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CAS No. 864866-92-2
Cat. No. CS-0041653
Purity≥98%
MDL No.MFCD11858430

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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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6-Bromo-2-methylisoquinolin-1(2H)-one|CS-0041653

Structure of 864866-92-2

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Description

6-Bromo-2-methylisoquinolin-1(2H)-one features a brominated isoquinolinone core with a methyl group at the 2-position, offering enhanced electronic modulation and steric profile. This scaffold integrates readily into transition-metal-catalyzed coupling reactions and serves as a key building block for bioactive heterocycles in medicinal chemistry and materials science.

Application

6-Bromo-2-methylisoquinolin-1(2H)-one serves as a versatile building block for constructing isoquinoline-based scaffolds in medicinal chemistry and materials science. The bromine at the 6-position enables palladium-catalyzed cross-coupling reactions, while the lactam carbonyl and methyl group provide orthogonal functionalization sites. Its bench-stable solid form facilitates handling and purification, making it well-suited for iterative synthesis workflows requiring high reproducibility and compatibility with standard reaction conditions.

General Information

CAS No. 864866-92-2
Cat. No. CS-0041653
Purity ≥98%
MDL No. MFCD11858430
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈BrNO
Molecular Weight 238.08
Synonym(s) 1(2H)-Isoquinolinone,6-bromo-2-methyl-(9CI)
SMILES O=C1N(C)C=CC2=C1C=CC(Br)=C2

Computational Chemistry Data

TPSA 22
LogP 2.301
H_Acceptors 2
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 Isoquinoline compounds

Key Words

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6-Bromo-2-methylisoquinolin-1(2H)-one

CAS No. 864866-92-2

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