1-Chloro-4-methoxyisoquinoline

Name: 1-Chloro-4-methoxyisoquinoline
Brand: ChemScene
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CAS No. 3336-60-5
Cat. No. CS-0054459
Purity≥97%
MDL No.None

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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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1-Chloro-4-methoxyisoquinoline|CS-0054459

Structure of 3336-60-5

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Description

1-Chloro-4-methoxyisoquinoline features a chloro group at the C1 position and a methoxy substituent at C4, creating a versatile scaffold for transition-metal-catalyzed cross-coupling reactions. The electron-rich isoquinoline core enhances reactivity in palladium-mediated transformations, while the methoxy moiety improves solubility and stability under standard conditions. This compound serves as a key intermediate in the synthesis of bioactive heterocycles and functional materials.

Application

1-Chloro-4-methoxyisoquinoline serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-established reactivity at the C1 position. The methoxy group at C4 provides electronic modulation and enhances solubility, while the chloro substituent offers high bench stability and compatibility with standard coupling protocols. This compound facilitates efficient construction of complex isoquinoline-based scaffolds used in pharmaceutical research.

General Information

CAS No. 3336-60-5
Cat. No. CS-0054459
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈ClNO
Molecular Weight 193.63
Synonym(s) 1-Chlor-4-methoxy-isochinolin
SMILES COC1=CN=C(Cl)C2=C1C=CC=C2

Computational Chemistry Data

TPSA 22.12
LogP 2.8968
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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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1-Chloro-4-methoxyisoquinoline

CAS No. 3336-60-5

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