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1,3-Dicyclohexyl-5-sec-butylbarbituric acid

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Identification
Molecular formula
C20H32N2O3
CAS number
64147-07-3
IUPAC name
1,3-dicyclohexyl-5-sec-butyl-hexahydropyrimidine-2,4,6-trione
State
State

At room temperature, 1,3-dicyclohexyl-5-sec-butylbarbituric acid is in a solid state. It maintains its crystalline form under standard conditions.

Melting point (Celsius)
180.00
Melting point (Kelvin)
453.15
Boiling point (Celsius)
450.00
Boiling point (Kelvin)
723.15
General information
Molecular weight
361.52g/mol
Molar mass
361.5210g/mol
Density
1.1550g/cm3
Appearence

1,3-Dicyclohexyl-5-sec-butylbarbituric acid appears as a white or off-white crystalline solid. Its structure features cyclohexyl rings and a pyrimidine ring, making the compound relatively bulky. Its solid state ensures stability under normal conditions.

Comment on solubility

Solubility of 1,3-Dicyclohexyl-5-sec-butyl-hexahydropyrimidine-2,4,6-trione

The solubility of 1,3-dicyclohexyl-5-sec-butyl-hexahydropyrimidine-2,4,6-trione can be quite intriguing due to its unique structure. This compound is characterized by several bulky cyclohexyl and sec-butyl groups, which significantly influence its solubility properties.

Here are some key points to consider regarding its solubility:

  • Solvent Compatibility: The presence of non-polar cyclohexyl groups implies that this compound may have limited solubility in polar solvents such as water. It might be more soluble in non-polar organic solvents like hexane or toluene.
  • Temperature Dependence: As with many larger organic molecules, solubility can often increase with temperature, making it essential to take this factor into account during experimentation.
  • Influence of Functional Groups: The hexahydropyrimidine structure contributes to its potential solubility behavior. The presence of carbonyl groups may allow for moderate interactions with polar solvents, but the dominating hydrophobic character likely prevails.

In summary, the solubility of 1,3-dicyclohexyl-5-sec-butyl-hexahydropyrimidine-2,4,6-trione is likely to be primarily non-polar, favoring organic solvents while showing restricted solubility in polar environments. This highlights the critical role that molecular architecture plays in determining how a compound interacts with various solvents.

Interesting facts

Interesting Facts about 1,3-Dicyclohexyl-5-sec-butyl-hexahydropyrimidine-2,4,6-trione

This compound is a fascinating member of the hexahydropyrimidine family, showcasing intriguing structural features and potential applications in various fields. Here are some engaging aspects to consider:

  • Cyclic Structure: The presence of cyclohexyl groups contributes to the compound's unique three-dimensional structure, which can influence its reactivity and interactions with other molecules.
  • Bioactivity: Compounds like 1,3-dicyclohexyl-5-sec-butyl-hexahydropyrimidine-2,4,6-trione have been studied for their biological activities, making them of interest in pharmaceutical research. The hexahydropyrimidine scaffold can serve as a platform for drug design.
  • Versatile Chemistry: The functional groups in this compound facilitate distinct chemical reactions, enhancing its utility in synthetic organic chemistry. This versatility makes it a valuable tool for chemists working on complex organic syntheses.
  • Potential Applications: Due to its unique structural properties, this compound may find applications in materials science, catalysis, or as intermediates in the synthesis of more complex molecules.
  • Research Interest: Continued research into hexahydropyrimidine derivatives may yield novel findings that advance our understanding of their properties and broaden their application scope in medicinal chemistry.

In summary, 1,3-dicyclohexyl-5-sec-butyl-hexahydropyrimidine-2,4,6-trione is a remarkable compound that exemplifies the blend of structural complexity and functional potential in organic chemistry. Its ongoing study promises to unveil new insights and practical applications.

Synonyms
745-31-3
5-sec-Butyl-1,3-dicyclohexylbarbituric acid
BRN 0763579
BARBITURIC ACID, 5-sec-BUTYL-1,3-DICYCLOHEXYL-
5-sec-Butyl-1,3-dicyclohexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-sec-butyl-1,3-dicyclohexyl-
DTXSID50996000
5-(Butan-2-yl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione