7-Bromo-6-methyl-3,4-dihydroisoquinolin-1(2H)-one

Name: 7-Bromo-6-methyl-3,4-dihydroisoquinolin-1(2H)-one
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 2239309-43-2
Cat. No. CS-0197041
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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7-Bromo-6-methyl-3,4-dihydroisoquinolin-1(2H)-one|CS-0197041

Structure of 2239309-43-2

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General Information

CAS No. 2239309-43-2
Cat. No. CS-0197041
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₀BrNO
Molecular Weight 240.10
Synonym(s) None
SMILES O=C1NCCC2=C1C=C(Br)C(C)=C2

Description

7-Bromo-6-methyl-3,4-dihydroisoquinolin-1(2H)-one features a brominated isoquinoline core with a methyl substituent at the 6-position, offering enhanced electron-withdrawing character and improved metabolic stability. This scaffold integrates readily into medicinal chemistry campaigns targeting CNS disorders, leveraging its ability to modulate receptor affinity through precise steric and electronic tuning.

Application

7-Bromo-6-methyl-3,4-dihydroisoquinolin-1(2H)-one serves as a versatile scaffold for the synthesis of biologically active compounds, enabling efficient functionalization at multiple sites. Its bromine atom facilitates palladium-catalyzed cross-coupling reactions, while the ketone and methyl groups support further derivatization. The compound exhibits bench stability and is compatible with standard purification protocols, making it a practical building block in medicinal chemistry and process development workflows.

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

Quality Control

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Computational Chemistry Data

TPSA 29.1
LogP 2.04342
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Tetrahydroisoquinoline compounds

Key Words

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7-Bromo-6-methyl-3,4-dihydroisoquinolin-1(2H)-one

CAS No. 2239309-43-2

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