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1-(pyrimidin-2-yl)ethanone(CAS#53342-27-1)

Chemical Property:

Molecular Formula C6H6N2O
Molar Mass 122.12
Density 1.136
Melting Point 52℃
Boling Point 254℃
Flash Point 111℃
Vapor Presure 0.017mmHg at 25°C
pKa -1.05±0.13(Predicted)
Storage Condition 2-8°C
Refractive Index 1.516

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Introduction

1-(pyrimidin-2-yl)ethanone, chemical formula C7H7NO, is an organic compound. The following is a brief description of its nature, use, preparation and safety information:

 

Nature:

-Appearance: 1-(pyrimidin-2-yl)ethanone is a white to light yellow crystalline powder.

-Solubility: It dissolves in some organic solvents (such as ethanol, dimethylformamide).

 

Use:

-Chemical synthesis: 1-(pyrimidin-2-yl)ethanone can be used as chemical synthesis intermediates and play an important role in organic chemical reactions.

-Drug: It is also used in drug research and preparation, for example, as a synthetic intermediate for antiviral, anti-tuberculosis, and anti-cancer drugs.

 

Preparation Method:

- 1-(pyrimidin-2-yl)ethanone is prepared in a variety of ways, commonly used methods include:

a. is obtained by reacting 2-chloroacetyl chloride with pyrimidine.

B. it is obtained by the reflux reaction of 2-hydroxyacetic acid and pyrimidine in anhydrous ethanol.

 

Safety Information:

- 1-(pyrimidin-2-yl)ethanone need to be handled and stored in accordance with the safe operation specifications of general organic compounds.

-It may be irritating to the eyes and skin, and direct contact should be avoided.

-Appropriate laboratory safety measures, such as wearing protective glasses, laboratory clothing and gloves, are required for use and handling. At the same time, make sure to operate in a well-ventilated environment and avoid inhaling dust or gas.

-In case of discomfort or maladjustment after contact or inhalation, medical help should be sought promptly.

Application
1-(Pyrimidin-2-yl)ethanone (2-acetylpyrimidine, CAS 53342-27-1) is a high-purity heterocyclic ketone widely used as a versatile building block in pharmaceutical and agrochemical research. In drug discovery, it serves as a key intermediate for the synthesis of histamine H4 receptor modulators, enzyme inhibitors, and other bioactive compounds. The reactive acetyl group enables facile derivatization into oximes, hydrazones, and other heterocyclic systems. As a ligand in coordination chemistry, it forms stable metal complexes with transition metals for catalysis and metal-organic framework (MOF) applications. Its oxime derivatives have been studied for electrocatalytic water oxidation and antimicrobial activity. The compound also serves as a reference standard for analytical method development and quality control of pyrimidine APIs. Xinchem offers custom synthesis and contract manufacturing of this essential intermediate with flexible scaling from R&D to commercial tons. Contact us for a competitive quote and reliable global supply.


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