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Phenobarbital

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Identification
Molecular formula
C12H12N2O3
CAS number
50-06-6
IUPAC name
5-butyl-5-phenyl-hexahydropyrimidine-2,4,6-trione
State
State

At room temperature, phenobarbital is typically in a solid state as a white crystalline powder.

Melting point (Celsius)
175.00
Melting point (Kelvin)
448.00
Boiling point (Celsius)
345.66
Boiling point (Kelvin)
618.81
General information
Molecular weight
232.24g/mol
Molar mass
232.2390g/mol
Density
1.1000g/cm3
Appearence

Phenobarbital appears as a white, crystalline powder. It is slightly soluble in water and more soluble in alcohol and chloroform. The powder tends to be stable under normal temperatures and pressures.

Comment on solubility

Solubility of 5-butyl-5-phenyl-hexahydropyrimidine-2,4,6-trione

The solubility of 5-butyl-5-phenyl-hexahydropyrimidine-2,4,6-trione can be quite complex due to its unique molecular structure. In general, the solubility of organic compounds like this one is influenced by several factors:

  • Polarity: The functional groups present will affect how well the compound dissolves in polar versus non-polar solvents. Given the presence of ketone functionalities, one might expect a degree of solubility in polar solvents such as methanol or ethanol.
  • Hydrophobic Character: The long butyl and phenyl substituents contribute to the hydrophobic characteristics, likely leading to decreased solubility in water but possible solubility in organic solvents.
  • Temperature Effects: Solubility can vary with temperature; higher temperatures generally increase the solubility of many organic compounds.

Thus, while 5-butyl-5-phenyl-hexahydropyrimidine-2,4,6-trione may exhibit some solubility in certain organic solvents, it is generally regarded as having limited solubility in water. This makes it essential to conduct empirical solubility tests when practical applications are considered.

Overall, understanding the balance between its hydrophilic and hydrophobic properties is critical for predicting the solubility behavior of this compound.

Interesting facts

Exploring 5-butyl-5-phenyl-hexahydropyrimidine-2,4,6-trione

5-butyl-5-phenyl-hexahydropyrimidine-2,4,6-trione is a fascinating compound that falls under the category of pyrimidine derivatives. Pyrimidines are six-membered aromatic rings with nitrogen atoms, and their chemistry is rich and varied, leading to numerous applications in pharmaceuticals and biochemistry. Here are some interesting aspects of this compound:

  • Diverse Applications: This compound showcases significant potential in medicinal chemistry, particularly as a building block for the synthesis of bioactive molecules. Its unique structure can lead to interactions with biological systems, making it a candidate for drug development.
  • Structural Diversity: The presence of both butyl and phenyl groups introduces a blend of hydrophobic and hydrophilic characteristics, which can influence the compound's reactivity and potential as a drug candidate.
  • Chemical Reactivity: As a trione, the compound contains three carbonyl groups, which are highly reactive and can participate in various chemical transformations, including cyclizations and condensations.
  • Analytical Interest: Compounds like this can be analyzed using NMR, mass spectrometry, and IR spectroscopy to determine their structure and functionality, making them a staple in organic and medicinal chemistry laboratories.

In summary, 5-butyl-5-phenyl-hexahydropyrimidine-2,4,6-trione exemplifies the intriguing world of heterocyclic compounds, where subtle changes in structure can lead to dramatic differences in properties and potential applications. As the exploration of such compounds continues, their roles in modern science will undoubtedly expand.

Synonyms
BARBITURIC ACID, 5-BUTYL-5-PHENYL-
13554-11-5
5-Butyl-5-phenylbarbituric acid
DTXSID40159460
DTXCID2081951
5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione
5-butyl(phenyl)barbituric
CBMicro_024495
Cambridge id 5561670
Oprea1_486061
CCG-11728
BIM-0024384.P001
SR-01000213363
SR-01000213363-1