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

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

CAS No. 891782-60-8
Cat. No. CS-D0454
Purity≥97%
MDL No.MFCD08437642

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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+
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7-Bromo-3,4-dihydroisoquinolin-1(2H)-one|CS-D0454

Structure of 891782-60-8

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Description

7-Bromo-3,4-dihydroisoquinolin-1(2H)-one features a brominated isoquinolinone core with enhanced electrophilicity at the carbonyl position, enabling efficient coupling reactions. The fused ring system imparts rigidity and planarity, while the bromine substituent facilitates late-stage functionalization via cross-coupling. This bench-stable scaffold is well-suited for medicinal chemistry applications requiring targeted structural diversity.

Application

7-Bromo-3,4-dihydroisoquinolin-1(2H)-one serves as a versatile building block for medicinal chemistry and heterocyclic synthesis. Its bromine substituent enables palladium-catalyzed cross-coupling reactions, while the lactam functionality offers predictable reactivity in functional group manipulations. The compound exhibits good bench stability and facilitates efficient incorporation into complex scaffolds via standard coupling and reduction protocols.

General Information

CAS No. 891782-60-8
Cat. No. CS-D0454
Purity ≥97%
MDL No. MFCD08437642
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈BrNO
Molecular Weight 226.07
Synonym(s) 1(2H)-Isoquinolinone,7-bromo-3,4-dihydro-
SMILES O=C1NCCC2=C1C=C(Br)C=C2

Computational Chemistry Data

TPSA 29.1
LogP 1.735
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Tetrahydroisoquinoline compounds

Key Words

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

CAS No. 891782-60-8

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