6-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one

Name: 6-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one
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CAS No. 1245708-13-7
Cat. No. CS-0137813
Purity≥96%
MDL No.MFCD15526939

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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6-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one|CS-0137813

Structure of 1245708-13-7

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General Information

CAS No. 1245708-13-7
Cat. No. CS-0137813
Purity ≥96%
MDL No. MFCD15526939
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrN₂O₂
Molecular Weight 229.03
Synonym(s) 6-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILES O=C1NC2=CC=C(Br)N=C2OC1

Description

6-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one features a brominated pyridooxazine core with inherent electron-deficient character, enabling direct functionalization in cross-coupling reactions. The lactam carbonyl and nitrogen heteroatoms provide stable coordination sites, while the bench-stable solid facilitates handling under standard conditions.

Application

6-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one serves as a versatile heterocyclic building block for medicinal chemistry and synthetic organic applications. The bromine substituent enables palladium-catalyzed cross-coupling reactions, facilitating the construction of complex molecular architectures. Its pyrido[2,3-b][1,4]oxazin-2(3H)-one core provides structural rigidity and hydrogen bonding capacity, enhancing target affinity in bioactive molecule design. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthesis workflows.

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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Computational Chemistry Data

TPSA 51.22
LogP 1.175
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Morpholine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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6-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one

CAS No. 1245708-13-7

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