1-(4-Methyl-5-pyrimidinyl)ethanone

Basic Information

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CAS Number

87379-42-8

Molecular Formula

C7H8N2O

Molecular Weight

136.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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CC1=NC=NC=C1C(=O)C

InChI

InChI=1S/C7H8N2O/c1-5-7(6(2)10)3-8-4-9-5/h3-4H,1-2H3

InChIKey

ULLKFRGCRYFTHF-UHFFFAOYSA-N

LogP

0.9876199999999999

Topological Polar Surface Area

42.85 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

136

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

1-(4-methylpyrimidin-5-yl)ethan-1-one
Ethanone, 1-(4-methyl-5-pyrimidinyl)-
MFCD09263922
1-(4-Methylpyrimidin-5-yl)ethanone
DTXSID901296835
AKOS012063327
CS-0186261
1-(4-Methyl-5-pyrimidinyl)ethanone
A915786
SB57799
O10297
ULLKFRGCRYFTHF-UHFFFAOYSA-N
5-acetyl-4-methylpyrimidine
EN300-156869
ETHANONE,1-(4-METHYL-5-PYRIMIDINYL)-
SCHEMBL8578654
5-acetyl-6-methylpyrimidine
DS-18832
87379-42-8
Ethanone,1-(4-methyl-5-pyrimidinyl)-
5-acetyl-4-methyl-2-phenyl-6H-1,3-thiazine
Ethanone,1-(4-methyl-2-phenyl-6H-1,3-thiazin-5-yl)
AK464963

MDL Number

MFCD09263922

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 1-(4-Methyl-5-pyrimidinyl)ethanone (CAS: 87379-42-8)?

1-(4-Methyl-5-pyrimidinyl)ethanone (CAS: 87379-42-8) is a white to off-white crystalline solid with a molecular weight of approximately 174.2 g/mol. It has a solubility of about 2.4 g/100 mL in water. The compound is moderately reactive and can undergo nucleophilic substitution reactions. It is insoluble in most organic solvents but soluble in polar aprotic solvents like dimethyl sulfoxide.

How is 1-(4-Methyl-5-pyrimidinyl)ethanone (CAS: 87379-42-8) typically synthesized?

1-(4-Methyl-5-pyrimidinyl)ethanone can be synthesized through the condensation of 4-methylpyrimidine with acetic anhydride. The reaction typically proceeds under mild heating conditions with good selectivity and yield. The use of a suitable catalyst or solvent can enhance the reaction efficiency and product purity.

What industries use 1-(4-Methyl-5-pyrimidinyl)ethanone (CAS: 87379-42-8)?

1-(4-Methyl-5-pyrimidinyl)ethanone (CAS: 87379-42-8) finds applications in various industries. It is commonly used in pharmaceuticals for the synthesis of certain drug intermediates. It also plays a role in the polymer industry as a precursor for functional polymers. Additionally, it is utilized in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 1-(4-Methyl-5-pyrimidinyl)ethanone (CAS: 87379-42-8)?

When handling 1-(4-Methyl-5-pyrimidinyl)ethanone (CAS: 87379-42-8), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. The compound should be stored in a well-ventilated area and handled under a fume hood to prevent inhalation. In case of a spill, immediately clean it up using appropriate absorbent materials and ensure proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed safety information.