7-Bromo-4-methyl-2H-1,4-benzoxazin-3-one

Name: 7-Bromo-4-methyl-2H-1,4-benzoxazin-3-one
Brand: ChemScene
Availability: InStock
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CAS No. 1260778-66-2
Cat. No. CS-0209453
Purity≥98%
MDL No.MFCD11520905

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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-4-methyl-2H-1,4-benzoxazin-3-one|CS-0209453

Structure of 1260778-66-2

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Description

7-Bromo-4-methyl-2H-1,4-benzoxazin-3-one is a heterocyclic compound featuring a brominated benzoxazinone core with a methyl substituent at the 4-position. This electron-deficient scaffold integrates readily into synthetic sequences requiring stable, functionalized aryl electrophiles. The molecule exhibits enhanced reactivity in transition-metal-catalyzed couplings and serves as a key intermediate in the development of bioactive molecules.

Application

7-Bromo-4-methyl-2H-1,4-benzoxazin-3-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to substituted benzoxazinone scaffolds. Its bromine and carbonyl functionalities facilitate palladium-catalyzed cross-coupling reactions and nucleophilic substitution pathways. The molecule exhibits excellent bench stability and compatibility with common protecting group strategies, making it well-suited for modular synthesis of bioactive compounds and API intermediates.

General Information

CAS No. 1260778-66-2
Cat. No. CS-0209453
Purity ≥98%
MDL No. MFCD11520905
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈BrNO₂
Molecular Weight 242.07
Synonym(s) 7-bromo-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
SMILES C1C(N(C=2C=CC(=CC2O1)Br)C)=O

Computational Chemistry Data

TPSA 29.54
LogP 1.8043
H_Acceptors 2
H_Donors 0
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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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7-Bromo-4-methyl-2H-1,4-benzoxazin-3-one

CAS No. 1260778-66-2

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