5-Ethyl-2,4(1H,3H)-pyrimidinedione

Basic Information

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CAS Number

4212-49-1

Molecular Formula

C6H8N2O2

Molecular Weight

140.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

303°C

Density

1.164

Refractive Index

1.482

SMILES

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CCC1=CNC(=O)NC1=O

InChI

InChI=1S/C6H8N2O2/c1-2-4-3-7-6(10)8-5(4)9/h3H,2H2,1H3,(H2,7,8,9,10)

InChIKey

RHIULBJJKFDJPR-UHFFFAOYSA-N

LogP

-0.3744

Topological Polar Surface Area

65.72 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

208

Synonyms & References

English

EN300-95986
2,4(1H,3H)-Pyrimidinedione, 5-ethyl-
AMY23293
A825775
5-Ethyl-2,4-pyrimidinediol #
CS-B1504
SY002972
5-Ethyluracil
5-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
SCHEMBL161148
Uracil, 5-ethyl-
5-ethyl-1H-pyrimidine-2,4-dione
2,4-Dihydroxy-5-ethylpyrimidine, Homothymine
2,4-Dihydroxy-5-ethylpyrimidine
FT-0610119
4212-49-1
1,2,3,4-Tetrahydropyrimidine, 5-ethyl-2,4-dioxo-
SB57227
H10158
E0807
5-ethyl-2,4(1H,3H)-pyrimidinedione
AC-1385
MFCD00079187
GS-3069
5-Ethyl uracil
5-ethylpyrimidine-2,4(1h,3h)-dione
W-202727
AKOS005206784
SCHEMBL14048734
DTXSID60194959
5-Ethyl-1H-pyrimidine-2,4-dione

MDL Number

MFCD00079187

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 5-Ethyl-2,4(1H,3H)-pyrimidinedione (CAS: 4212-49-1)?

5-Ethyl-2,4(1H,3H)-pyrimidinedione (CAS: 4212-49-1) is a white or slightly yellow crystalline solid. Its molecular weight is approximately 168.18 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it is stable but can be easily hydrolyzed under acidic conditions. It does not react readily with strong bases or oxidizers.

How is 5-Ethyl-2,4(1H,3H)-pyrimidinedione (CAS: 4212-49-1) typically synthesized?

5-Ethyl-2,4(1H,3H)-pyrimidinedione is typically synthesized through the one-pot debenzylation and cyclization of 2,4-bis(ethoxymethyl)-6-benzoylpyrimidine. This process uses catalytic amounts of acid and is performed at room temperature. The yield is generally high, around 75%, and the product is isolated by recrystallization from ethanol.

What industries use 5-Ethyl-2,4(1H,3H)-pyrimidinedione (CAS: 4212-49-1)?

5-Ethyl-2,4(1H,3H)-pyrimidinedione (CAS: 4212-49-1) is used in the pharmaceutical industry for its biological activities such as potential as an antifungal agent. It is also used in the polymer industry for modifying properties of certain polymers. Additionally, it is applied in the sensor industry for developing gas sensors due to its sensitivity to certain gases.

What precautions should be taken when handling 5-Ethyl-2,4(1H,3H)-pyrimidinedione (CAS: 4212-49-1)?

When handling 5-Ethyl-2,4(1H,3H)-pyrimidinedione (CAS: 4212-49-1), ensure to use personal protective equipment (PPE) such as safety goggles, gloves, and lab coats. Store it in a cool, dry place away from direct sunlight and heat. Use a fume hood for all handling and preparation procedures to avoid inhalation. In case of a spill, immediately clean up using appropriate absorbents and dispose of according to local regulations. Refer to the Material Safety Data Sheet (MSDS) for detailed safety information.