2-Methylisoquinolin-1(2H)-one

Name: 2-Methylisoquinolin-1(2H)-one
Brand: ChemScene
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CAS No. 4594-71-2
Cat. No. CS-W009059
Purity≥98%
MDL No.MFCD00040275

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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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2-Methylisoquinolin-1(2H)-one|CS-W009059

Structure of 4594-71-2

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Description

2-Methylisoquinolin-1(2H)-one features a fused bicyclic core with a lactam functionality and a methyl substituent at the 2-position, imparting enhanced electron density and steric profile. This scaffold serves as a key structural motif in bioactive molecule design, offering improved metabolic stability and favorable binding interactions in medicinal chemistry applications.

Application

2-Methylisoquinolin-1(2H)-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to isoquinoline-based scaffolds. Its stability under standard reaction conditions and compatibility with diverse functional groups facilitate downstream derivatization via electrophilic substitution, palladium-catalyzed coupling, and reductive amination. The molecule functions as a key intermediate in the synthesis of bioactive compounds and offers predictable reactivity for bench-scale applications.

General Information

CAS No. 4594-71-2
Cat. No. CS-W009059
Purity ≥98%
MDL No. MFCD00040275
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉NO
Molecular Weight 159.18
Synonym(s) 2-Methyl-1(2H)-isoquinolinone; 2-Methyl-1(2H)-isoquinolone; 2-Methyl-1-isoquinolinone; 2-Methyl-1-isoquinolone; N-Methylisocarbostyril
SMILES O=C1N(C)C=CC2=C1C=CC=C2

Computational Chemistry Data

TPSA 22
LogP 1.5385
H_Acceptors 2
H_Donors 0
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 : 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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2-Methylisoquinolin-1(2H)-one

CAS No. 4594-71-2

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