5-Bromo-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one

Name: 5-Bromo-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
Brand: ChemScene
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CAS No. 1403767-05-4
Cat. No. CS-0050600
Purity≥95%
MDL No.None

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FedEx Limited Quantities Ground	$0.00
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5-Bromo-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one|CS-0050600

Structure of 1403767-05-4

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General Information

CAS No. 1403767-05-4
Cat. No. CS-0050600
Purity ≥95%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄BrN₃O
Molecular Weight 214.02
Synonym(s) 5-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one
SMILES BrC1=C2N(C=C1)N=CNC2=O

Description

5-Bromo-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one is a brominated heterocyclic scaffold featuring a fused triazine core with a lactam functionality. This electron-deficient system enables efficient coupling in cross-coupling reactions and serves as a key building block for bioactive molecule synthesis. The bromine substituent provides a handle for further functionalization under mild conditions.

Application

5-Bromo-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one serves as a versatile building block for the synthesis of biologically active heterocycles, enabling direct functionalization via palladium-catalyzed cross-coupling reactions. Its bromine substituent provides high reactivity in Suzuki, Stille, and Negishi couplings, while the pyrrolo[2,1-f][1,2,4]triazin-4-one core offers excellent stability under standard bench conditions and compatibility with diverse functional groups. This compound facilitates efficient access to advanced scaffolds relevant to medicinal chemistry and agrochemical development.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 50.16
LogP 0.7851
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Triazine compounds

Key Words

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5-Bromo-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one

CAS No. 1403767-05-4

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