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Butabarbital

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Identification
Molecular formula
C11H16N2O3
CAS number
125-40-6
IUPAC name
5-butyl-1-(4-hydroxycyclohexyl)hexahydropyrimidine-2,4,6-trione
State
State

At room temperature, Butabarbital is in a solid state.

Melting point (Celsius)
165.00
Melting point (Kelvin)
438.15
Boiling point (Celsius)
375.20
Boiling point (Kelvin)
648.35
General information
Molecular weight
256.31g/mol
Molar mass
256.3100g/mol
Density
1.1710g/cm3
Appearence

Butabarbital typically appears as a white solid powder. It is crystalline in nature and can appear as white, odorless crystals with a somewhat bitter taste.

Comment on solubility

Solubility of 5-butyl-1-(4-hydroxycyclohexyl)hexahydropyrimidine-2,4,6-trione

The solubility of 5-butyl-1-(4-hydroxycyclohexyl)hexahydropyrimidine-2,4,6-trione can be influenced by several factors, including polarity, molecular structure, and the presence of functional groups. Understanding its solubility profile is crucial for applications in pharmaceuticals and chemical synthesis.

Key Factors Affecting Solubility:

  • Polarity: The presence of hydroxyl (–OH) groups generally increases solubility in polar solvents such as water. In this compound, the hydroxycyclohexyl group is likely to enhance solubility due to hydrogen bonding.
  • Molecular size: Larger molecules may exhibit lower solubility due to steric hindrance. The butyl group adds to the size and could potentially reduce solubility in non-polar solvents.
  • Solvent type: Solubility can vary greatly between different solvents. It is important to consider both polar and non-polar solvents when assessing this compound’s solubility.

In the context of this compound, one might find that it is:

  • Moderately soluble in polar solvents due to the presence of the hydroxyl group.
  • Poorly soluble in non-polar solvents, owing to the larger hydrocarbon component and its structural complexity.

As with many complex organic compounds, the exact solubility can often be determined experimentally, making it essential for scientists to perform solubility tests in various media to obtain reliable data.

Interesting facts

Interesting Facts about 5-Butyl-1-(4-hydroxycyclohexyl)hexahydropyrimidine-2,4,6-trione

5-Butyl-1-(4-hydroxycyclohexyl)hexahydropyrimidine-2,4,6-trione is an intriguing chemical compound that showcases the complexity and versatility of organic chemistry. This compound belongs to the class of hexahydropyrimidines, which are derivatives of pyrimidines, known for their importance in both synthetic and biological chemistry.

Unique Structural Features

  • Multifunctional Groups: The presence of a butyl group and a hydroxycyclohexyl group highlights the compound's structural diversity, providing a range of potential interactions and reactivities.
  • Trione Functionality: The three carbonyl groups in the trione moiety contribute to the compound's chemical reactivity, enabling it to participate in various organic reactions, such as nucleophilic additions.

Potential Applications

This compound has shown promising potential in various fields:

  • Pharmaceutical Development: Due to its unique structure, it may possess biological activities that could be harnessed for drug discovery.
  • Materials Science: Its ability to form different interactions makes it a candidate for developing novel materials with tailored properties.

Research Insights

Researchers are actively exploring the following aspects:

  • Synthetic Pathways: The synthesis of this compound employs a range of synthetic techniques, showcasing the ingenuity of modern organic chemistry.
  • Mechanistic Studies: Understanding the reactivity and properties of this compound can provide insights into similar heterocyclic structures.

In summary, 5-butyl-1-(4-hydroxycyclohexyl)hexahydropyrimidine-2,4,6-trione is not just another chemical compound; it represents the fascinating intersection of structure, reactivity, and application in scientific research. Its exploration could pave the way for significant advancements in chemistry and materials science.

Synonyms
5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid
1031-90-9
5-butyl-1-(4-hydroxycyclohexyl)-1,3-diazinane-2,4,6-trione
BRN 0757640
5-Butyl-1-(4-hydroxycyclohexyl)perhydropyrimidine-2,4,6-trione
BARBITURIC ACID, 5-BUTYL-1-(4-HYDROXYCYCLOHEXYL)-
5-n-Butyl-1-(4-hydroxycyclohexyl)-2,4,6-trioxoperhydropyrimidine
DTXSID80908196
5-Butyl-6-hydroxy-3-(4-hydroxycyclohexyl)pyrimidine-2,4(3H,5H)-dione