5-Bromo-1-chloro-8-methoxyisoquinoline

Name: 5-Bromo-1-chloro-8-methoxyisoquinoline
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1690846-94-6
Cat. No. CS-0527297
Purity≥98%
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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*For research and further manufacturing use only, not for direct human use.

5-Bromo-1-chloro-8-methoxyisoquinoline|CS-0527297

Structure of 1690846-94-6

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Description

5-Bromo-1-chloro-8-methoxyisoquinoline is a halogenated isoquinoline derivative featuring complementary reactive sites for cross-coupling and functionalization. The bromo group enables palladium-catalyzed coupling, while the chloro moiety offers orthogonal reactivity under selective conditions. This electron-deficient scaffold supports efficient derivatization in medicinal chemistry and materials synthesis.

Application

5-Bromo-1-chloro-8-methoxyisoquinoline serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The bromo group facilitates Suzuki, Stille, or Negishi coupling, while the chloro moiety offers stability under standard reaction conditions. The 8-methoxy substituent enhances solubility and modulates electronic properties, supporting efficient functionalization in the synthesis of complex isoquinoline-based scaffolds.

General Information

CAS No. 1690846-94-6
Cat. No. CS-0527297
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₇BrClNO
Molecular Weight 272.53
Synonym(s) None
SMILES COC1=CC=C(Br)C2=C1C(Cl)=NC=C2

Computational Chemistry Data

TPSA 22.12
LogP 3.6593
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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-P280-P302+P352

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Key Words

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5-Bromo-1-chloro-8-methoxyisoquinoline

CAS No. 1690846-94-6

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