1-(2-Chloropyrimidin-4-yl)ethanone

Name: 1-(2-Chloropyrimidin-4-yl)ethanone
Brand: ChemScene
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CAS No. 1312535-78-6
Cat. No. CS-W018795
Purity≥95%
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-(2-Chloropyrimidin-4-yl)ethanone|CS-W018795

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General Information

CAS No. 1312535-78-6
Cat. No. CS-W018795
Purity ≥95%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₅ClN₂O
Molecular Weight 156.57
Synonym(s) 4-Acetyl-2-chloropyrimidine
SMILES CC(=O)C1=CC=NC(Cl)=N1

Description

1-(2-Chloropyrimidin-4-yl)ethanone features a chlorinated pyrimidine core paired with an acetyl group, enabling direct integration into heterocyclic scaffolds. This electrophilic moiety facilitates efficient coupling reactions in medicinal chemistry, particularly in the synthesis of kinase inhibitors and antiviral agents. The compound exhibits high reactivity under mild conditions, with enhanced stability during storage and handling.

Application

1-(2-Chloropyrimidin-4-yl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient C–H functionalization and nucleophilic substitution reactions. Its pyrimidine core exhibits strong electrophilicity at the 4-position, facilitating coupling with amines, thiols, and other nucleophiles under mild conditions. The molecule demonstrates excellent bench stability, compatibility with diverse functional groups, and ease of purification—making it well-suited for modular synthesis of heterocyclic scaffolds and API intermediates.

Safety Information

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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 1.3326
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-(2-Chloropyrimidin-4-yl)ethanone

CAS No. 1312535-78-6

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