7-Bromo-1H-pyrrolo[3,2-d]pyrimidin-4(5H)-one

Name: 7-Bromo-1H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 93587-23-6
Cat. No. CS-W006022
Purity≥95%
MDL No.MFCD09999206

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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-1H-pyrrolo[3,2-d]pyrimidin-4(5H)-one|CS-W006022

Structure of 93587-23-6

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General Information

CAS No. 93587-23-6
Cat. No. CS-W006022
Purity ≥95%
MDL No. MFCD09999206
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄BrN₃O
Molecular Weight 214.02
Synonym(s) 7-Bromo-1,5-dihydro-4H-pyrrolo[3,2-D]pyrimidin-4-one
SMILES BrC1=C[NH]C2=C1NC=NC2=O

Description

7-Bromo-1H-pyrrolo[3,2-d]pyrimidin-4(5H)-one is a heterocyclic building block featuring a brominated pyrrolopyrimidinone core. This scaffold delivers a reactive site for cross-coupling transformations and integrates readily into bioactive molecules. The compound exhibits bench-stable handling properties and serves as a key intermediate in the synthesis of kinase inhibitors and nucleoside analogs.

Application

7-Bromo-1H-pyrrolo[3,2-d]pyrimidin-4(5H)-one serves as a versatile building block for the synthesis of purine analogs and kinase inhibitors. Its bromine substituent enables facile palladium-catalyzed cross-coupling reactions, while the pyrimidinone core provides compatibility with standard heterocyclic functionalization protocols. The compound exhibits good bench stability and facilitates efficient purification, making it well-suited for medicinal chemistry campaigns and API intermediate development.

Synthesis

Route1
- In-stock
  
  5655-01-6
- ~98%
- In-stock
  
  93587-23-6
References
- Proximagen Limited; EVANS, David; CARLEY, Allison; STEWART, Alison; HIGGINBOTTOM, Michael; SAVORY, Edward; SIMPSON, Iain; NILSSON, Marianne; HARALDSSON, Martin; NORDLING, Erik; KOOLMEISTER, Tobias Patent: WO2011/113798 A2, 2011 ; Location in patent: Page/Page column 59 ; WO 2011/113798 A2

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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Computational Chemistry Data

TPSA 61.54
LogP 1.0137
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Key Words

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7-Bromo-1H-pyrrolo[3,2-d]pyrimidin-4(5H)-one

CAS No. 93587-23-6

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