1-(5-Bromo-1,3-thiazol-2-yl)ethan-1-one

Name: 1-(5-Bromo-1,3-thiazol-2-yl)ethan-1-one
Brand: ChemScene
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CAS No. 774230-98-7
Cat. No. CS-0052869
Purity≥97%
MDL No.None

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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1-(5-Bromo-1,3-thiazol-2-yl)ethan-1-one|CS-0052869

Structure of 774230-98-7

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General Information

CAS No. 774230-98-7
Cat. No. CS-0052869
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₄BrNOS
Molecular Weight 206.06
Synonym(s) 1-(5-Bromothiazol-2-yl)ethanone
SMILES CC(=O)C1=NC=C(Br)S1

Description

1-(5-Bromo-1,3-thiazol-2-yl)ethan-1-one features a brominated thiazole ring fused to an acetyl group, delivering a reactive electrophilic center for cross-coupling and functionalization. This bench-stable, moisture-tolerant building block integrates readily into heterocyclic scaffolds and enables efficient access to bioactive molecules in medicinal chemistry and materials science.

Application

1-(5-Bromo-1,3-thiazol-2-yl)ethan-1-one serves as a versatile building block in heterocyclic synthesis, enabling efficient access to thiazole-based scaffolds through nucleophilic substitution and transition-metal-catalyzed coupling reactions. The bromine atom facilitates Pd-mediated cross-coupling, while the acetyl group provides a handle for further functionalization. Its bench-stable crystalline form ensures reliable handling and purification, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Synthesis

Route1
- 774230-97-6
- ~%
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  774230-98-7
References
- SCHERING CORPORATION; ZENG, Qingbei; CHEN, Kevin, X.; ANILKUMAR, Gopinadhan, N.; ROSENBLUM, Stuart, B.; KOZLOWSKI, Joseph, A.; NJOROGE, F., George Patent: WO2010/138791 A1, 2010 ; Location in patent: Page/Page column 93 ;

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 29.96
LogP 2.1082
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Thiazole compounds

Key Words

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1-(5-Bromo-1,3-thiazol-2-yl)ethan-1-one

CAS No. 774230-98-7

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