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Barbituric acid derivative

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Identification
Molecular formula
C14H16BrN2NaO3
CAS number
560-77-8
IUPAC name
sodium;5-(2-bromoallyl)-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate
State
State

At room temperature, this compound is typically found as a solid. In some cases, it may be available as a powder.

Melting point (Celsius)
205.00
Melting point (Kelvin)
478.15
Boiling point (Celsius)
85.00
Boiling point (Kelvin)
358.15
General information
Molecular weight
443.19g/mol
Molar mass
443.3000g/mol
Density
1.3450g/cm3
Appearence

This compound is typically a crystalline powder or solid. Appearance may vary slightly based on the purity and form of the sample.

Comment on solubility

Solubility of Sodium; 5-(2-bromoallyl)-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate

The compound sodium; 5-(2-bromoallyl)-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate demonstrates complex solubility characteristics due to its unique molecular structure. To understand its solubility, we can consider several key factors:

  • Polarity: The presence of both hydrophilic (polar) and hydrophobic (non-polar) segments can lead to varied solubility in different solvents.
  • Salt Formation: As a sodium salt, it may exhibit increased solubility in aqueous solutions, particularly in comparison to its neutral counterpart.
  • Concentration Effects: Higher concentrations in solution could potentially lead to solubility saturation, depending on thermodynamic conditions.

In organic solvents, the solubility may markedly differ from that in polar solvents like water. One might find that:

  • It may be considerably soluble in polar solvents due to the ionic nature of the sodium salt.
  • The compound could be practically insoluble in non-polar solvents, reflecting its molecular structure.

Conclusively, while this compound may exhibit some solubility in aqueous environments, it is critical to note that the interplay of various factors plays a significant role in its overall solubility profile. As with many chemical compounds, accurate solubility determinations require empirical data obtained through experimentation under controlled conditions.

Interesting facts

Interesting Facts about Sodium; 5-(2-Bromoallyl)-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate

This fascinating compound exhibits a unique combination of structural features that highlight its chemical versatility and potential applications. As a pyrimidine derivative, it holds significant importance in medicinal chemistry and organic synthesis. Here are some intriguing aspects worth noting:

  • Versatile Pharmacophore: The presence of a pyrimidine core is often linked to biological activity; compounds with similar structures may exhibit pharmacological properties, making them candidates for drug development.
  • Substituent Effects: The incorporation of a bromoallyl and 1-methylbutyl group can impact the reactivity and solubility of the compound, influencing its application in organic reactions.
  • Stability and Reactivity: The dioxo functionality in the compound can serve as a stabilizing factor while also providing sites for further reactions, enabling the synthesis of more complex molecules.
  • Synthetic Pathways: Chemists often utilize this type of compound in diverse synthetic pathways for creating inhibitors, and understanding its mechanism can lead to the discovery of new therapeutic agents.
  • Research Potential: The study of this compound might pave the way for insights into new materials, owing to its intricate structure that can be manipulated for various applications in nanotechnology or material science.

In conclusion, sodium; 5-(2-bromoallyl)-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate serves as a striking example of how molecular architecture plays a critical role in dictating chemical behavior and potential utility. The exploration of its characteristics continues to be vital for advancing our understanding of chemical compounds in both academic and practical contexts.