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Identification
Molecular formula
C19H29N3O5
CAS number
104291-13-2
IUPAC name
[4-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)cyclohexyl] butanoate
State
State

At room temperature, the compound is found in a solid state, typically as a crystalline powder or granules. It is stable under standard laboratory conditions, though it should be kept in a dry environment to maintain its solid form and prevent any potential degradation or reaction with moisture.

Melting point (Celsius)
180.20
Melting point (Kelvin)
453.35
Boiling point (Celsius)
523.50
Boiling point (Kelvin)
796.65
General information
Molecular weight
337.44g/mol
Molar mass
337.4420g/mol
Density
1.0567g/cm3
Appearence

This compound is typically a crystalline solid. The crystal structure is often a white or off-white color and forms in a powder or granular configuration depending on the manner of synthesis and purification. Due to the presence of multiple functional groups, it may exhibit light sensitivity and should be stored in airtight conditions to prevent degradation.

Comment on solubility

Solubility of [4-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)cyclohexyl] butanoate

The solubility of the compound [4-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)cyclohexyl] butanoate can be quite complex due to its intricate molecular structure. Its solubility is primarily influenced by several factors, including polar and nonpolar interactions, molecular weight, and the presence of functional groups. Here are some key points to consider:

  • Polarity: The presence of polar functional groups contributes to solubility in polar solvents such as water, whereas nonpolar segments may favor solubility in organic solvents like ethanol or hexane.
  • Molecular Weight: Higher molecular weight typically reduces solubility in common solvents due to increased van der Waals forces.
  • Hydrogen Bonding: Compounds capable of forming hydrogen bonds often have enhanced solubility in polar solvents.
  • Conformation: The geometric conformation of the compound can affect its interaction with solvents. A flexible structure may interact more favorably with solvent molecules.

In practical applications, it is crucial to consider these solubility characteristics during the formulation of pharmaceutical products, as the solubility can significantly impact the bioavailability and efficacy of the compound in various formulations. Experimental data should be consulted to ascertain precise solubility in specific solvents under varying conditions.

Interesting facts

Interesting Facts about [4-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)cyclohexyl] butanoate

[4-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)cyclohexyl] butanoate is a fascinating compound that showcases the diversity of organic chemistry. Here are some intriguing aspects about this compound:

  • Versatile Structure: The compound features a unique tricyclic structure that incorporates both a cyclohexane and a complex pyrimidine moiety. This architecture often leads to interesting pharmacological properties.
  • Potential Applications: Due to its unique structural features, this compound holds potential in drug development, particularly in targeting specific biological pathways in diseases.
  • Functional Groups: The presence of the butanoate ester group suggests potential for reactivity and interactions with biological systems, making it a candidate for further research.
  • Research Opportunities: The compound's specific arrangement of atoms might allow for probing interactions in various environments, presenting a unique opportunity for scientists working with medicinal chemistry.
  • Anecdotal Discovery: Structures like that of [4-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)cyclohexyl] butanoate often arise during the search for novel compounds that can exhibit unexpected properties, reflecting the serendipitous nature of chemical research.

As with many compounds in organic synthesis, the journey from laboratory synthesis to application can be lengthy and complex. Therefore, continuing to explore and study such unique compounds is essential for advancing our understanding of chemistry and its real-world applications.

Synonyms
21330-96-1
BUTYRIC ACID, ESTER with 5-BUTYL-1-(4-HYDROXYCYCLOHEXYL)BARBITURIC ACID
BRN 0713047
5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid butyrate
RefChem:1080498
SCHEMBL12202984
DTXSID00943887
4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl butanoate