6-Bromothieno[2,3-d]pyrimidin-4(1H)-one

Name: 6-Bromothieno[2,3-d]pyrimidin-4(1H)-one
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 56844-40-7
Cat. No. CS-0119928
Purity≥95%
MDL No.MFCD09746332

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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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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6-Bromothieno[2,3-d]pyrimidin-4(1H)-one|CS-0119928

Structure of 56844-40-7

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General Information

CAS No. 56844-40-7
Cat. No. CS-0119928
Purity ≥95%
MDL No. MFCD09746332
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃BrN₂OS
Molecular Weight 231.07
Synonym(s) 6-Bromothieno[2,3-d]pyrimidin-4(3h)-one
SMILES O=C1C(C=C(Br)S2)=C2NC=N1

Description

6-Bromothieno[2,3-d]pyrimidin-4(1H)-one features a brominated thienopyrimidinone core that enables direct functionalization in cross-coupling reactions. The electron-deficient pyrimidinone ring pairs with the bromine handle for efficient diversification in medicinal chemistry and materials synthesis. This bench-stable compound integrates readily into complex molecular architectures under standard conditions.

Application

6-Bromothieno[2,3-d]pyrimidin-4(1H)-one serves as a versatile building block for the synthesis of biologically active heterocycles. The bromine substituent enables palladium-catalyzed cross-coupling reactions, while the thienopyrimidinone core provides a rigid, electron-deficient scaffold suitable for medicinal chemistry applications. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient derivatization in multi-step syntheses.

Synthesis

Route1
- In-stock
  
  14080-50-3
- ~93%
- In-stock
  
  56844-40-7
References
- THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES; MARUGAN, Juan, J.; ZHENG, Wei; SOUTHALL, Noel; HUANG, Wenwei; MCCOY, Joshua, G.; TITUS, Steven; PATNAIK, Samarjit Patent: WO2012/44993 A1, 2012 ; Location in patent: Page/Page column 44 ;
Route2
- In-stock
  
  4651-82-5
- ~%
- In-stock
  
  56844-40-7
References
- Bulletin de la Societe Chimique de France, , p. 587 - 591
Route3
- 43028-71-3
- ~%
- In-stock
  
  56844-40-7
References
- Bulletin de la Societe Chimique de France, , p. 587 - 591

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

Quality Control

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Computational Chemistry Data

TPSA 45.75
LogP 1.7471
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

Key Words

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6-Bromothieno[2,3-d]pyrimidin-4(1H)-one

CAS No. 56844-40-7

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