7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one

Name: 7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one
Brand: ChemScene
Availability: InStock
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CAS No. 321436-06-0
Cat. No. CS-W005367
Purity≥94%
MDL No.MFCD07774199

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one|CS-W005367

Structure of 321436-06-0

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General Information

CAS No. 321436-06-0
Cat. No. CS-W005367
Purity ≥94%
MDL No. MFCD07774199
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrNO₂
Molecular Weight 228.04
Synonym(s) 2H-1,4-benzoxazin-3(4H)-one, 7-bromo-
SMILES O=C1COC2=CC(Br)=CC=C2N1

Description

7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one is a brominated heterocyclic compound featuring a fused benzene and oxazine ring system. This electron-deficient scaffold integrates readily into synthetic sequences requiring halogenation for downstream coupling. The carbonyl group at position 3 enhances reactivity in nucleophilic substitution processes, while the bromine at position 7 provides a site for palladium-catalyzed functionalization. Bench-stable under standard conditions, it serves as a versatile intermediate in medicinal chemistry and materials science.

Application

7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one serves as a versatile heterocyclic building block for medicinal chemistry and materials synthesis. Its bromine substituent enables palladium-catalyzed cross-coupling reactions, while the oxazinone core offers stability and functional group tolerance. The molecule facilitates efficient access to bioactive scaffolds and supports late-stage diversification in drug discovery workflows.

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-H319-H335
Precautionary Statements : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 38.33
LogP 1.78
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one

CAS No. 321436-06-0

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