6-Bromoisoquinoline-1,3(2H,4H)-dione

Name: 6-Bromoisoquinoline-1,3(2H,4H)-dione
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 501130-49-0
Cat. No. CS-0210877
Purity≥98%
MDL No.MFCD12755363

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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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6-Bromoisoquinoline-1,3(2H,4H)-dione|CS-0210877

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Description

6-Bromoisoquinoline-1,3(2H,4H)-dione features a brominated isoquinoline core with dual carbonyl groups, enabling direct functionalization in cross-coupling and heterocycle synthesis. The electron-deficient framework facilitates nucleophilic addition, while the bench-stable crystalline form simplifies handling in medicinal chemistry workflows.

Application

6-Bromoisoquinoline-1,3(2H,4H)-dione serves as a versatile building block in heterocyclic synthesis, enabling direct functionalization at the 6-position via palladium-catalyzed cross-coupling. The dione moiety provides enhanced solubility and stability compared to related scaffolds, while maintaining compatibility with common protecting group strategies. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for iterative synthetic campaigns in medicinal chemistry and process development.

General Information

CAS No. 501130-49-0
Cat. No. CS-0210877
Purity ≥98%
MDL No. MFCD12755363
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆BrNO₂
Molecular Weight 240.05
Synonym(s) tert-butyl 3-allyl-3-hydroxyazetidine-39-carboxylate
SMILES O=C1NC(CC2=CC(Br)=CC=C12)=O

Computational Chemistry Data

TPSA 46.17
LogP 1.2616
H_Acceptors 2
H_Donors 1
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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Tetrahydroisoquinoline compounds

Key Words

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6-Bromoisoquinoline-1,3(2H,4H)-dione

CAS No. 501130-49-0

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