6-Methylisoquinolin-1(2H)-one

Name: 6-Methylisoquinolin-1(2H)-one
Brand: ChemScene
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CAS No. 131002-10-3
Cat. No. CS-0166586
Purity≥98%
MDL No.MFCD11559024

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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-Methylisoquinolin-1(2H)-one|CS-0166586

Structure of 131002-10-3

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General Information

CAS No. 131002-10-3
Cat. No. CS-0166586
Purity ≥98%
MDL No. MFCD11559024
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉NO
Molecular Weight 159.18
Synonym(s) 1(2H)-Isoquinolinone,6-methyl
SMILES O=C1NC=CC2=C1C=CC(C)=C2

Description

6-Methylisoquinolin-1(2H)-one features a fused bicyclic core with a methyl-substituted isoquinoline scaffold and a lactam functionality. This electron-deficient heterocycle integrates readily into synthetic routes requiring planar, polarizable frameworks. The compound exhibits enhanced solubility in organic solvents and stability under standard bench conditions, enabling efficient incorporation into medicinal chemistry campaigns and materials synthesis workflows.

Application

6-Methylisoquinolin-1(2H)-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to isoquinoline-based scaffolds. Its inherent stability and defined regiochemistry facilitate direct functionalization at C3 and C4 positions, while the carbonyl group supports nucleophilic transformations. The compound functions effectively in coupling reactions and transition-metal-catalyzed processes, offering predictable reactivity for synthetic route development.

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 : 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 32.86
LogP 1.83652
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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6-Methylisoquinolin-1(2H)-one

CAS No. 131002-10-3

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