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Allylbarbituric acid

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Identification
Molecular formula
C11H16N2O3
CAS number
1231-44-5
IUPAC name
1-allyl-5,5-diethyl-hexahydropyrimidine-2,4,6-trione
State
State

At room temperature, allylbarbituric acid is in a solid state, appearing as a white crystalline powder.

Melting point (Celsius)
142.00
Melting point (Kelvin)
415.15
Boiling point (Celsius)
270.00
Boiling point (Kelvin)
543.15
General information
Molecular weight
222.27g/mol
Molar mass
222.2750g/mol
Density
1.1100g/cm3
Appearence

Allylbarbituric acid typically appears as a white crystalline powder. It is odourless and stable in nature, displaying the typical appearance characteristics of many barbituric acid derivatives.

Comment on solubility

Solubility of 1-allyl-5,5-diethyl-hexahydropyrimidine-2,4,6-trione

The solubility of 1-allyl-5,5-diethyl-hexahydropyrimidine-2,4,6-trione is an intriguing aspect due to its unique chemical structure. Generally, the solubility of a compound is influenced by several factors, including:

  • Polarity: Polar compounds tend to dissolve well in polar solvents, such as water, while non-polar compounds prefer non-polar solvents. The presence of various functional groups in this compound can affect its overall polarity.
  • Hydrogen Bonding: The existence of hydrogen bond donors and acceptors can enhance solubility in polar solvents. This compound may have capabilities for hydrogen bonding, modifying its solubility profile.
  • Molecular Weight: Generally, lower molecular weight compounds exhibit better solubility in a variety of solvents compared to heavier compounds.

In practice, the solubility of 1-allyl-5,5-diethyl-hexahydropyrimidine-2,4,6-trione can vary significantly with:

  1. Usage of Solvents: It is recommended to test solubility in a variety of solvents, including ethanol, dimethyl sulfoxide (DMSO), and water.
  2. Concentration: Higher concentrations may lead to saturation and precipitation, indicating limited solubility.
  3. Temperature: Increasing temperature often enhances solubility, so temperature-controlled experiments may be necessary.

In conclusion, while specific solubility data for 1-allyl-5,5-diethyl-hexahydropyrimidine-2,4,6-trione might be limited, understanding the factors that influence its solubility allows researchers to explore its potential applications more effectively. As with any compound, empirical testing will always provide the most accurate insights into solubility behavior.

Interesting facts

Interesting Facts about 1-Allyl-5,5-Diethyl-Hexahydropyrimidine-2,4,6-Trione

1-Allyl-5,5-diethyl-hexahydropyrimidine-2,4,6-trione is a fascinating compound that falls under the category of pyrimidine derivatives. Pyrimidines are essential components in biochemistry, as they are part of nucleic acids including DNA and RNA. Here are some intriguing facets of this compound:

  • Structural Complexity: The compound features a hexahydropyrimidine core, which contributes to its intriguing three-dimensional structure, potentially affecting its reactivity and interactions with biological molecules.
  • Diverse Functional Groups: Incorporating both allyl and diethyl substituents introduces interesting steric and electronic factors that can influence its chemical properties and biological activity.
  • Potential Applications: Compounds of this nature are often explored for their potential applications in pharmaceuticals, agriculture, and even as catalysts in organic synthesis, highlighting their versatility in various fields.
  • Bioactivity: Many pyrimidine derivatives exhibit antimicrobial, antiviral, and anticancer properties, making 1-allyl-5,5-diethyl-hexahydropyrimidine-2,4,6-trione a potential candidate for further biological evaluations.
  • Synthesis Pathways: Understanding how to synthesize this compound provides valuable insights into organic synthesis methodologies, including cyclization reactions and functional group transformations.

This compound exemplifies the intricacies of organic compounds that play crucial roles in both nature and technology. With its diverse functionalities and bioactivity potential, 1-allyl-5,5-diethyl-hexahydropyrimidine-2,4,6-trione not only enriches the scientific community's understanding of pyrimidine chemistry but also inspires ongoing research in various domains.

Synonyms
N-Allylbarbital
7548-63-2
BARBITURIC ACID, 1-ALLYL-5,5-DIETHYL-
BRN 0202048
N-Allyl barbital
DTXSID10226416
DTXCID10148907
5-24-09-00147 (beilstein handbook reference)
igiriitwqifraw-uhfffaoysa-n
1-Allyl-5,5-diethylbarbituric acid
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-(2-propenyl)-
1-Allyl-5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione
1-Allyl-5,5-diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione #