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

Name: 4-Bromo-2-methylisoquinolin-1(2H)-one
Brand: ChemScene
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CAS No. 33930-63-1
Cat. No. CS-W018933
Molecule weight238.08
Purity≥98%
MDL No.MFCD00489133

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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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4-Bromo-2-methylisoquinolin-1(2H)-one|CS-W018933

Structure of 33930-63-1

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General Information

CAS No. 33930-63-1
Cat. No. CS-W018933
Purity ≥98%
MDL No. MFCD00489133
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈BrNO
Molecular Weight 238.08
Synonym(s) NSC 218343
SMILES C1=CC=CC2=C1C(=CN(C)C2=O)Br

Description

4-Bromo-2-methylisoquinolin-1(2H)-one features a brominated isoquinolinone core with a methyl group at the 2-position, offering enhanced electron-withdrawing character and improved metabolic stability. This scaffold integrates readily into bioactive molecule design, particularly in kinase inhibitors and fluorescent probes, due to its planar structure and favorable solubility under standard conditions.

Application

4-Bromo-2-methylisoquinolin-1(2H)-one serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its bromine substituent. The isoquinolinone core provides structural rigidity and favorable pharmacophoric properties, while the methyl group enhances lipophilicity and metabolic stability. Its bench-stable nature and compatibility with standard synthetic protocols facilitate efficient incorporation into complex heterocyclic scaffolds and API intermediates.

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

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Computational Chemistry Data

TPSA 22
LogP 2.301
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Key Words

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

CAS No. 33930-63-1

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