1-(4,6-Dichloropyrimidin-5-yl)ethanone

Name: 1-(4,6-Dichloropyrimidin-5-yl)ethanone
Brand: ChemScene
Availability: InStock
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CAS No. 60025-06-1
Cat. No. CS-0042569
Purity≥97%
MDL No.None

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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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1-(4,6-Dichloropyrimidin-5-yl)ethanone|CS-0042569

Structure of 60025-06-1

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General Information

CAS No. 60025-06-1
Cat. No. CS-0042569
Purity ≥97%
MDL No. None
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄Cl₂N₂O
Molecular Weight 191.01
Synonym(s) 4,6-dichloro-5-acetylpyrimidine
SMILES CC(C1=C(Cl)N=CN=C1Cl)=O

Description

1-(4,6-Dichloropyrimidin-5-yl)ethanone features a reactive acetyl group tethered to a dichloropyrimidine core, enabling efficient coupling in nucleophilic substitution reactions. The electron-deficient pyrimidine ring enhances reactivity toward amines and thiols, facilitating rapid incorporation into bioactive scaffolds. This bench-stable compound serves as a key intermediate in medicinal chemistry for constructing heterocyclic architectures.

Application

1-(4,6-Dichloropyrimidin-5-yl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. Its electrophilic C5 position facilitates nucleophilic substitution reactions, while the acetyl group offers a handle for further functionalization. The compound exhibits good bench stability and compatibility with standard synthetic protocols, making it well-suited for modular synthesis of heterocyclic intermediates and API candidates.

Synthesis

Route1
- 60025-05-0
- ~93%
- In-stock
  
  60025-06-1
References
- Erickson, Shawn David; Gillespie, Paul; Guertin, Kevin Richard; Karnachi, Prabha Saba; Kim, Kyungjin; Ma, Chun; McComas, Warren William; Pietranico-Cole, Sherrie Lynn; Qi, Lida; Tilley, Jefferson Wright; Zhang, Qiang Patent: US2009/286812 A1, 2009 ; Location in patent: Page/Page column 23-24 ;

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 42.85
LogP 1.986
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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1-(4,6-Dichloropyrimidin-5-yl)ethanone

CAS No. 60025-06-1

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