5-Bromo-2-methyl-1,2-dihydroisoquinolin-1-one

Name: 5-Bromo-2-methyl-1,2-dihydroisoquinolin-1-one
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1367905-79-0
Cat. No. CS-0057198
Molecule weight238.08
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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5-Bromo-2-methyl-1,2-dihydroisoquinolin-1-one|CS-0057198

Structure of 1367905-79-0

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General Information

CAS No. 1367905-79-0
Cat. No. CS-0057198
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈BrNO
Molecular Weight 238.08
Synonym(s) 5-broMo-2-Methylisoquinolin-1(2H)-one
SMILES O=C1N(C)C=CC2=C1C=CC=C2Br

Description

5-Bromo-2-methyl-1,2-dihydroisoquinolin-1-one features a brominated isoquinolinone core with a methyl group at the 2-position, offering enhanced electron-withdrawing character and improved solubility in organic solvents. This scaffold serves as a key intermediate in the synthesis of bioactive alkaloids and pharmaceutical candidates, particularly where halogenation supports downstream coupling reactions. The bench-stable, moisture-tolerant structure enables reliable use in multi-step transformations under standard conditions.

Application

5-Bromo-2-methyl-1,2-dihydroisoquinolin-1-one serves as a versatile scaffold for the synthesis of isoquinoline-based bioactive molecules. Its bromine substituent enables palladium-catalyzed cross-coupling reactions, while the ketone functionality supports nucleophilic additions and condensation processes. The 2-methyl group enhances stability and modulates reactivity, facilitating straightforward purification and functionalization. This compound functions effectively in medicinal chemistry campaigns targeting CNS agents and kinase inhibitors.

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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Computational Chemistry Data

TPSA 22
LogP 2.301
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Key Words

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5-Bromo-2-methyl-1,2-dihydroisoquinolin-1-one

CAS No. 1367905-79-0

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