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Phenobarbital

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

At room temperature, phenobarbital is a solid.

Melting point (Celsius)
176.00
Melting point (Kelvin)
449.15
Boiling point (Celsius)
437.00
Boiling point (Kelvin)
710.15
General information
Molecular weight
232.24g/mol
Molar mass
232.2380g/mol
Density
1.1000g/cm3
Appearence

Phenobarbital typically appears as a white crystalline powder. It is odorless or may have a slight, characteristic odor. The compound is slightly soluble in water, soluble in alcohol, and freely soluble in chloroform and ether.

Comment on solubility

Solubility of 1-benzoyl-5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione

The solubility of 1-benzoyl-5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione can be influenced by several factors, including temperature, solvent polarity, and molecular structure. Because of its complex structure, this compound exhibits nuanced solubility characteristics:

  • Polar Solvents: It is generally more soluble in polar solvents due to the potential for hydrogen bonding and dipole interactions.
  • Non-Polar Solvents: Solubility in non-polar solvents may be limited, given the presence of polar functional groups that do not favorably interact with non-polar environments.
  • Temperature Effect: Increasing temperature often enhances solubility, particularly in solid compounds, as it increases molecular movement and interaction potential.
  • Hydrogen Bonding: The presence of keto groups may allow for increased solubility through hydrogen bond formation with solvents.

In summary, the overall solubility of this compound is largely dependent on solvent choice and environmental conditions. Understanding its solubility profile is crucial for applications in pharmaceuticals and chemical synthesis, where specific solubility characteristics dictate the conditions for reaction and formulation.

Interesting facts

Interesting Facts about 1-benzoyl-5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione

This compound belongs to a class of organic compounds known as pyrimidines, which are considered important building blocks in medicinal chemistry. Its unique structure enables the compound to exhibit a variety of fascinating properties that are of interest to both researchers and industry professionals.

Key Features

  • Diverse Applications: Compounds with pyrimidine structures are frequently used in the development of pharmaceuticals, including anti-cancer and anti-viral agents.
  • Structural Variability: The presence of multiple substituents, such as ethyl and phenyl groups, enhances the compound's ability to interact with biological targets, which can be crucial for designing effective drugs.
  • Reactivity: The hexahydropyrimidine framework is particularly interesting due to its potential for undergoing various chemical reactions that can yield further derivatives or modifications.

Scientific Significance

This compound showcases the importance of the pyrimidine core in medicinal chemistry, where substituent patterns significantly influence biological activity. Researchers often explore such compounds to:

  • Understand structure-activity relationships (SAR) in drug discovery.
  • Investigate how different chemical environments affect reactivity and stability.
  • Utilize the compound as a precursor for synthesizing more complex molecules.

In summary, 1-benzoyl-5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione not only represents an intriguing molecule within organic chemistry but also serves as a key example of how structural diversity is essential in creating effective pharmaceutical agents. As researchers continue to explore its properties, it is likely to contribute valuable insights into the development of new therapeutic strategies.

Synonyms
Benzobarbital
Benzonal
Benzoylluminal
Benzoylphenobarbital
Benzoyluminal
Benzonalum
Benzobarbital [INN]
Benzobarbitalum
Benzobarbitalum [INN-Latin]
1-Benzoyl-5-ethyl-5-phenylbarbituric acid
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-benzoyl-5-ethyl-5-phenyl-
UNII-YNJ78BD0AH
YNJ78BD0AH
BRN 0627140
DTXSID1046138
BARBITURIC ACID, 1-BENZOYL-5-ETHYL-5-PHENYL-
1-Benzoyl-5-ethyl-5-phenyl-2,4,6-trioxohexahydropyrimidine
BENZOBARBITAL [MART.]
5-Ethyl-1-benzoyl-5-phenylbarbituric acid
BENZOBARBITAL [WHO-DD]
DTXCID9026138
5-24-09-00293 (Beilstein Handbook Reference)
Benzobarbitalum (INN-Latin)
BENZOBARBITAL (MART.)
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-benzoyl-5-ethyl-5-phenyl-(9CI)
qmowpjifthvqmb-uhfffaoysa-n
744-80-9
1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
NCGC00160414-01
Oprea1_179037
SCHEMBL2109448
CHEMBL1338506
Tox21_111797
STL301913
AKOS015896461
AC-19990
AS-14647
CAS-744-80-9
NS00010565
E79243
A838147
SR-01000212063
Q4083796
SR-01000212063-1
5-ethyl-5-phenyl-1-(phenylcarbonyl)-1,3-diazinane-2,4,6-trione
5-ethyl-5-phenyl-1-(phenylcarbonyl)pyrimidine-2,4,6(1H,3H,5H)-trione