2-Chloro-5-fluoropyrimidin-4-one

Name: 2-Chloro-5-fluoropyrimidin-4-one
Brand: ChemScene
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CAS No. 155-12-4
Cat. No. CS-0020061
Purity≥95%
MDL No.MFCD01346689

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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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2-Chloro-5-fluoropyrimidin-4-one|CS-0020061

Structure of 155-12-4

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General Information

CAS No. 155-12-4
Cat. No. CS-0020061
Purity ≥95%
MDL No. MFCD01346689
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₂ClFN₂O
Molecular Weight 148.52
Synonym(s) 4(1H)-Pyrimidinone, 2-chloro-5-fluoro-
SMILES O=C1NC(Cl)=NC=C1F

Description

2-Chloro-5-fluoropyrimidin-4-one is a halogenated pyrimidinone scaffold featuring orthogonal reactivity at the C2 chlorine and C5 fluorine positions. This electron-deficient heterocycle integrates readily into medicinal chemistry campaigns, serving as a key intermediate for bioactive molecule synthesis through selective nucleophilic substitution and coupling reactions under mild conditions.

Application

2-Chloro-5-fluoropyrimidin-4-one serves as a versatile building block in medicinal chemistry, enabling efficient construction of fluorinated pyrimidine scaffolds. Its reactive chloro and carbonyl groups facilitate nucleophilic substitution and condensation reactions, supporting the synthesis of heterocyclic intermediates with enhanced metabolic stability. The compound exhibits good bench stability and is compatible with standard purification protocols, making it suitable for scalable, reproducible synthetic workflows.

Synthesis

Route1
- In-stock
  
  2927-71-1
- ~87%
- In-stock
  
  155-12-4
References
- Syrrx, Inc. Patent: EP1506967 A1, 2005 ; Location in patent: Page/Page column 67 ; EP 1506967 A1

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 45.75
LogP 0.5624
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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2-Chloro-5-fluoropyrimidin-4-one

CAS No. 155-12-4

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