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Cyclohexylbarbital

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Identification
Molecular formula
C14H22N2O3
CAS number
1009-81-2
IUPAC name
1-cyclohexyl-5-(3-oxobutyl)hexahydropyrimidine-2,4,6-trione
State
State

At room temperature, Cyclohexylbarbital is usually encountered as a solid. It is stable under standard conditions and should be stored in a dry and cool place to maintain its crystallinity and prevent degradation.

Melting point (Celsius)
130.00
Melting point (Kelvin)
403.00
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.00
General information
Molecular weight
264.34g/mol
Molar mass
264.3510g/mol
Density
1.2500g/cm3
Appearence

Cyclohexylbarbital typically appears as a crystalline powder. Its color can range from colorless to white, sometimes with a slightly creamy hue. Its structure allows it to reflect light, giving it a somewhat shiny appearance.

Comment on solubility

Solubility of 1-cyclohexyl-5-(3-oxobutyl)hexahydropyrimidine-2,4,6-trione

The solubility of 1-cyclohexyl-5-(3-oxobutyl)hexahydropyrimidine-2,4,6-trione is intriguing and can be influenced by several factors. Understanding its solubility profile is essential for applications in pharmaceuticals, agrochemicals, and synthetic chemistry.

Factors Affecting Solubility

  • Molecular Structure: The complex structure of the compound, with its multiple functional groups, can lead to varying solubility in different solvents.
  • Polarity: The presence of polar functional groups may enhance solubility in polar solvents, while non-polar regions like the cyclohexyl group may favor solubility in non-polar solvents.
  • Temperature: Increasing the temperature of the solvent can often increase solubility, enabling better dissolution of the compound.

Typically, such compounds can exhibit:

  • Good solubility: in polar solvents like water or alcohols due to hydrogen bonding.
  • Poor solubility: in non-polar solvents if the hydrophobic regions outweigh the hydrophilic parts.

Overall, the solubility characteristics of 1-cyclohexyl-5-(3-oxobutyl)hexahydropyrimidine-2,4,6-trione make it crucial to identify the appropriate solvent system for optimal usability in chemical reactions and formulations. As such, conducting experimental solubility tests is recommended to tailor its application effectively.

Interesting facts

Interesting Facts about 1-Cyclohexyl-5-(3-oxobutyl)hexahydropyrimidine-2,4,6-trione

This compound is an intriguing example of multifunctional molecules that exhibit a variety of chemical properties and potential applications. As a derivative of hexahydropyrimidine, it showcases the rich chemistry of cyclic amines, which play an essential role in medicinal chemistry.

Chemical Structure and Functional Groups

The unique structure of 1-Cyclohexyl-5-(3-oxobutyl)hexahydropyrimidine-2,4,6-trione features:

  • Cyclohexyl group: This hydrophobic component enhances lipophilicity, making the compound an interesting candidate for drug development.
  • Trione moieties: The presence of multiple carbonyl groups in the structure can lead to unique reactivity, offering pathways for further chemical transformations.

Potential Applications

The compound holds promise for various fields, including:

  • Pharmaceutical Industry: Compounds with similar frameworks are often investigated for anti-inflammatory and anticancer activities.
  • Agricultural Chemistry: Due to its potential bioactivity, it could be explored for application in pesticides or herbicides.

Research Frontiers

Researchers are increasingly focusing on compounds like this one due to several noteworthy characteristics:

  • Reactivity: Understanding the mechanisms of the carbonyl groups can unveil new synthetic routes.
  • Synthesis: The challenge of synthesizing such complex structures has led to advancements in organic synthesis techniques.

In summary, 1-Cyclohexyl-5-(3-oxobutyl)hexahydropyrimidine-2,4,6-trione is not just another chemical; it represents a rich tapestry of potential applications and ongoing research avenues that could lead to significant real-world solutions.

Synonyms
1-Cyclohexyl-5-(3-oxobutyl)barbituric acid
17148-43-5
1-cyclohexyl-5-(3-oxobutyl)-1,3-diazinane-2,4,6-trione
BRN 0759379
BARBITURIC ACID, 1-CYCLOHEXYL-5-(3-OXOBUTYL)-
1-Cyclohexyl-5-(3-oxobutyl)perhydropyrimidine-2,4,6-trione
DTXSID90937992
3-Cyclohexyl-6-hydroxy-5-(3-oxobutyl)pyrimidine-2,4(3H,5H)-dione