1-Chloro-4-methylisoquinoline

Name: 1-Chloro-4-methylisoquinoline
Brand: ChemScene
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CAS No. 24188-78-1
Cat. No. CS-0099332
Purity≥97%
MDL No.MFCD18448753

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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-methylisoquinoline|CS-0099332

Structure of 24188-78-1

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Description

1-Chloro-4-methylisoquinoline is a halogenated isoquinoline derivative featuring a chlorine atom at the 1-position and a methyl group at the 4-position. This configuration imparts enhanced electrophilicity and stability, enabling efficient coupling in transition metal-catalyzed reactions. The compound serves as a valuable scaffold for constructing complex heterocyclic architectures in medicinal chemistry and materials science.

Application

1-Chloro-4-methylisoquinoline serves as a versatile building block in medicinal chemistry and heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its reactive chloro substituent. The 4-methyl group enhances electronic stability and improves solubility in organic media, facilitating purification and scale-up. This compound functions effectively in C–H functionalization and Suzuki-Miyaura coupling protocols, offering predictable reactivity for constructing complex isoquinoline-based scaffolds in API development.

General Information

CAS No. 24188-78-1
Cat. No. CS-0099332
Purity ≥97%
MDL No. MFCD18448753
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈ClN
Molecular Weight 177.63
Synonym(s) 1-chloro-4-methyl-isoquinoline
SMILES CC1=CN=C(C2=C1C=CC=C2)Cl

Computational Chemistry Data

TPSA 12.89
LogP 3.19662
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

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

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1-Chloro-4-methylisoquinoline

CAS No. 24188-78-1

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