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Barbital

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Identification
Molecular formula
C8H12N2O3
CAS number
57-44-3
IUPAC name
1-cyclohexyl-5-sec-butyl-hexahydropyrimidine-2,4,6-trione
State
State

At room temperature, barbital is typically a solid. It is often encountered in the form of a powder or crystalline material.

Melting point (Celsius)
190.00
Melting point (Kelvin)
463.15
Boiling point (Celsius)
261.00
Boiling point (Kelvin)
534.15
General information
Molecular weight
184.23g/mol
Molar mass
184.2280g/mol
Density
1.0450g/cm3
Appearence

Barbital typically appears as a white crystalline powder.

Comment on solubility

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

The solubility of 1-cyclohexyl-5-sec-butyl-hexahydropyrimidine-2,4,6-trione can be characterized by several factors:

  • Polarity: This compound exhibits a distinct structural framework that combines both hydrophobic (non-polar) and polar functionalities. As a result, its solubility in polar solvents (like water) may be limited.
  • Solvent Type: It is generally expected to be more soluble in organic solvents such as ethanol, methanol, and other hydrocarbon solvents supported by its cyclohexyl and sec-butyl groups.
  • Influence of Molecular Size: The large and complex structure may impose steric hindrance, which could further reduce solubility in traditional polar solvents.
  • Temperature Dependence: Like many organic compounds, an increase in temperature may enhance solubility due to increased molecular motion, allowing better interactions with solvent molecules.

In summary, the solubility of 1-cyclohexyl-5-sec-butyl-hexahydropyrimidine-2,4,6-trione highlights the crucial interplay between its molecular structure and solvent characteristics. As a general rule, it tends to dissolve better in non-polar to slightly polar solvents compared to highly polar solvents like water.

Interesting facts

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

This compound, 1-cyclohexyl-5-sec-butyl-hexahydropyrimidine-2,4,6-trione, is a fascinating example of a bicyclic compound with potential applications in various fields. Below are some intriguing points about this unique structure:

  • Structural Complexity: The compound features a hexahydropyrimidine core, making it a part of the pyrimidine family. Its unique substitution pattern at the 1 and 5 positions contributes to its complex reactivity and potential pharmacological properties.
  • Biological Significance: Compounds similar to this one have been studied for their potential effects on biological systems, including applications in pharmaceuticals, particularly in areas like antimicrobial and antiviral drug development.
  • Reaction Mechanisms: Due to the presence of multiple functional groups such as carbonyls in the trione structure, understanding its reaction pathways can be essential for fields like organic synthesis and medicinal chemistry. This complexity allows chemists to explore diverse synthetic routes.
  • Potential for Derivatives: The ability to modify either the cyclohexyl or sec-butyl groups opens up avenues for synthesizing derivatives, which can lead to compounds with varying biological activities or properties.

As noted by renowned chemist Robert H. Grubbs, "The beauty of organic synthesis lies in the complexity and diversity of compounds we can create and explore." Indeed, the exploration of 1-cyclohexyl-5-sec-butyl-hexahydropyrimidine-2,4,6-trione illustrates this beauty in chemistry.

In summary, this compound represents not just a chemical formula but a gateway into understanding complex reaction mechanisms and potential innovations in drug discovery.

Synonyms
841-72-5
5-sec-Butyl-1-cyclohexylbarbituric acid
BRN 0755290
BARBITURIC ACID, 5-sec-BUTYL-1-CYCLOHEXYL-
5-sec-Butyl-1-cyclohexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
DTXSID801004372
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-sec-butyl-1-cyclohexyl-
5-(Butan-2-yl)-3-cyclohexyl-6-hydroxypyrimidine-2,4(3H,5H)-dione