3-Chloro-5-methoxyisoquinoline

Name: 3-Chloro-5-methoxyisoquinoline
Brand: ChemScene
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CAS No. 1691715-12-4
Cat. No. CS-0436527
Molecule weight193.63
Purity≥98%
MDL No.None

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3-Chloro-5-methoxyisoquinoline|CS-0436527

Structure of 1691715-12-4

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General Information

CAS No. 1691715-12-4
Cat. No. CS-0436527
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈ClNO
Molecular Weight 193.63
Synonym(s) None
SMILES COC1=CC=CC2=C1C=C(Cl)N=C2

Description

3-Chloro-5-methoxyisoquinoline is a heterocyclic scaffold featuring a chlorine atom at the 3-position and a methoxy group at the 5-position, enabling selective functionalization in medicinal chemistry. This electron-deficient isoquinoline derivative serves as a key intermediate for bioactive compound synthesis, offering enhanced solubility and stability under standard reaction conditions.

Application

3-Chloro-5-methoxyisoquinoline serves as a versatile building block for the synthesis of isoquinoline-based scaffolds in medicinal chemistry. The chloro group enables palladium-catalyzed cross-coupling reactions, while the methoxy substituent provides electronic modulation and enhanced solubility. This compound exhibits good bench stability and facilitates efficient functionalization under standard reaction conditions, making it well-suited for the construction of complex heterocyclic architectures in API 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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 22.12
LogP 2.8968
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Drug Discovery Cancer EGFR

Key Words

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3-Chloro-5-methoxyisoquinoline

CAS No. 1691715-12-4

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