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Diallyl-pyrazolopyrimidine

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Identification
Molecular formula
C21H28N3O3
CAS number
84601-48-19
IUPAC name
5,5-diallyl-1-benzyl-3-[2-(diethylamino)ethyl]hexahydropyrimidine-2,4,6-trione
State
State

Under standard conditions, diallyl-pyrazolopyrimidine is found as a solid.

Melting point (Celsius)
122.00
Melting point (Kelvin)
395.15
Boiling point (Celsius)
345.00
Boiling point (Kelvin)
618.15
General information
Molecular weight
352.50g/mol
Molar mass
352.4980g/mol
Density
1.1500g/cm3
Appearence

Diallyl-pyrazolopyrimidine is typically a white to off-white powder. It may also appear as a solid with a crystalline form, depending on the degree of purity and specific batch characteristics.

Comment on solubility

Solubility of 5,5-Diallyl-1-benzyl-3-[2-(diethylamino)ethyl]hexahydropyrimidine-2,4,6-trione

The solubility of 5,5-diallyl-1-benzyl-3-[2-(diethylamino)ethyl]hexahydropyrimidine-2,4,6-trione is influenced by its unique molecular structure. Here are some key points to consider:

  • Polarity: Due to the presence of multiple functional groups (like diethylamino), the compound exhibits varying polar characteristics, which can affect its solubility in different solvents.
  • Solvent Compatibility: This compound is likely to be more soluble in organic solvents such as ethanol, chloroform, or dimethyl sulfoxide (DMSO) than in water, owing to its larger non-polar hydrocarbon portions.
  • Hydrogen Bonding: The presence of nitrogen atoms from the diethylamino group can participate in hydrogen bonding, potentially increasing solubility in more polar solvents, but limiting it in purely non-polar environments.
  • Temperature Effects: Increased temperatures can enhance solubility for many organic compounds, so thermal conditions can play a critical role in determining solubility behavior.

In summary, while the solubility of this compound can be considered moderate in polar solvents, the chemical structure indicates a tendency towards greater solubility in organic solvents. It is essential to conduct empirical solubility testing under various conditions to understand its complete profile. Remember, “solubility is much like relationship compatibility—sometimes it just needs the right environment!”

Interesting facts

Interesting Facts About 5,5-Diallyl-1-benzyl-3-[2-(diethylamino)ethyl]hexahydropyrimidine-2,4,6-trione

This intriguing compound features a unique structure that showcases the complexity of organic chemistry. Known for its potential applications in various scientific fields, it is especially noted for the following aspects:

  • Diverse Applications: This compound may be examined for its role in pharmaceuticals, particularly in the development of novel drugs targeting various therapeutic areas.
  • Chemical Stability: The hexahydropyrimidine backbone contributes to its durability and versatility in organic reactions, allowing chemists to explore various synthetic pathways.
  • Activity of Substituents: The presence of the diethylamino group greatly enhances the compound's reactivity and can influence its biological activity, making it a topic of interest in medicinal chemistry.
  • Research Interest: Compounds like this are often subjects of study in the realms of organic synthesis and drug discovery due to their complicated structures and potential to yield innovative solutions.
  • Structural Features: The compound's diallyl and benzyl substituents introduce significant steric parameters, leading to interesting conformational dynamics that affect its reactivity.

As a chemistry student or a researcher, one must appreciate the meticulous nature of organic synthesis often involved in preparing such complex molecules. According to famed organic chemist Robert H. Grubbs, "The synthesis of complex molecules is not only a test of the chemist's skills but a journey into the heart of chemical reactivity." This compound exemplifies that belief, embodying both the challenges and the extraordinary potential inherent in organic synthesis.

Understanding compounds like 5,5-diallyl-1-benzyl-3-[2-(diethylamino)ethyl]hexahydropyrimidine-2,4,6-trione opens doors to advancements in chemistry and offers insights into the vast possibilities of molecular design.