Isatoic anhydride, 4-bromo-

Name: Isatoic anhydride, 4-bromo-
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CAS No. 76561-16-5
Cat. No. CS-0030378
Purity≥95%
MDL No.MFCD11113115

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Structure of 76561-16-5

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Description

7-Bromo-1H-benzo[d][1,3]oxazine-2,4-dione features a brominated oxazine core with dual carbonyl groups, enabling direct functionalization in synthetic transformations. This electron-deficient heterocycle integrates readily into complex scaffolds, offering enhanced reactivity for medicinal chemistry and materials applications under standard conditions.

Application

7-Bromo-1H-benzo[d][1,3]oxazine-2,4-dione serves as a versatile heterocyclic building block for medicinal chemistry and materials synthesis. Its bromine substituent enables palladium-catalyzed cross-coupling reactions, while the electron-deficient oxazine core facilitates nucleophilic substitution and cycloaddition processes. The compound exhibits excellent bench stability, simplifies purification, and functions reliably in multi-step syntheses of bioactive scaffolds and functionalized aromatic systems.

General Information

CAS No. 76561-16-5
Cat. No. CS-0030378
Purity ≥95%
MDL No. MFCD11113115
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄BrNO₃
Molecular Weight 242.03
Synonym(s) 4-Bromoisatoic anhydride
SMILES O=C(O1)NC2=CC(Br)=CC=C2C1=O

Computational Chemistry Data

TPSA 63.07
LogP 1.2438
H_Acceptors 3
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-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 Other aromatic heterocycles compounds

Key Words

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Isatoic anhydride, 4-bromo-

CAS No. 76561-16-5

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