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5-Allyl-1,3-diphenylbarbituric acid

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Identification
Molecular formula
C19H18N2O3
CAS number
509-14-8
IUPAC name
5-allyl-1,3-diphenyl-hexahydropyrimidine-2,4,6-trione
State
State
This compound is a solid at room temperature. Its structural integrity is maintained through its crystalline form, and it remains stable under standard conditions.
Melting point (Celsius)
186.00
Melting point (Kelvin)
459.15
Boiling point (Celsius)
550.00
Boiling point (Kelvin)
823.15
General information
Molecular weight
320.35g/mol
Molar mass
320.3450g/mol
Density
1.2825g/cm3
Appearence
5-Allyl-1,3-diphenylbarbituric acid appears as white to off-white crystalline powder. It is known for its solid state at room temperature and can form well-defined crystals.
Comment on solubility

Solubility of 5-allyl-1,3-diphenyl-hexahydropyrimidine-2,4,6-trione

The solubility of 5-allyl-1,3-diphenyl-hexahydropyrimidine-2,4,6-trione can be influenced by a variety of factors, contributing to its behavior in different solvents. Given its complex structure, here are some key points to consider:

  • Polarity: The presence of polar carbonyl groups within the trione structure suggests that it may exhibit some polarity. This could allow for moderate solubility in polar solvents such as water, but the overall solubility is likely to be low due to the bulky phenyl groups.
  • Solvent Interaction: It is anticipated that the compound may be more soluble in organic solvents like ethanol or acetone rather than in aqueous solutions. This is due to the structure that favors non-polar interactions.
  • Temperature Effects: As with many organic compounds, increased temperature may enhance solubility. Higher temperatures can provide kinetic energy that helps overcome intermolecular forces, allowing more of the compound to dissolve.
  • pH Influence: The solubility can also be impacted by the pH of the solution. If the compound is capable of ionization, it might become more soluble in either acidic or basic conditions.

Overall, while specific solubility data may vary, the aforementioned considerations can offer valuable insights into the behavior of this compound in different chemical environments. Remember, “solubility is not just a property; it is also a gateway to understanding chemical behavior.”

Interesting facts

Interesting Facts about 5-Allyl-1,3-diphenyl-hexahydropyrimidine-2,4,6-trione

This complex compound, 5-allyl-1,3-diphenyl-hexahydropyrimidine-2,4,6-trione, showcases the fascinating intersection of organic chemistry and pharmacology. It belongs to a class known as pyrimidine derivatives, which are significant in the development of various medicinal agents.

Key Features:

  • Structural Diversity: This compound features a unique hexahydropyrimidine structure, which is further substituted by allyl and diphenyl groups, enhancing its chemical reactivity and biological activity.
  • Biological Relevance: Pyrimidine derivatives, like this one, have been studied for their potential in anti-inflammatory and anti-cancer therapies, making them crucial for drug discovery research.
  • Reactivity: The presence of the allyl group suggests that this compound might undergo interesting reactions such as cross-coupling, which is often explored in synthetic organic chemistry.

One of the compelling aspects of this compound is its potential applications in the pharmaceutical industry. As a scientist, it is exciting to consider how compounds that contain intricate cyclic structures can lead to breakthroughs in medicine. Moreover, the study of such compounds can also strengthen our understanding of structure-activity relationships—essential for predicting the effects of chemical modifications on biological efficacy.

As noted in the field, "[m]odification of small molecules can lead to significant changes in their biological properties," which underscores the importance of exploring compounds like 5-allyl-1,3-diphenyl-hexahydropyrimidine-2,4,6-trione.

Overall, this compound underscores both challenges and opportunities within organic synthesis and medicinal chemistry, confirming the vital role that structure plays in the development of therapeutic agents.

Synonyms
5-Allyl-1,3-diphenylbarbituric acid
743-45-3
BRN 0558728
BARBITURIC ACID, 5-ALLYL-1,3-DIPHENYL-
5-Allyl-1,3-diphenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
DTXSID20225314
DTXCID20147805
5-24-09-00215 (beilstein handbook reference)
SCHEMBL17358731