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Barbital

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Identification
Molecular formula
C12H18N2O3
CAS number
57-44-3
IUPAC name
5-(2-cyclohexylideneethyl)-5-ethyl-hexahydropyrimidine-2,4,6-trione
State
State

At room temperature, it exists in a solid state as a white crystalline powder.

Melting point (Celsius)
190.00
Melting point (Kelvin)
463.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
226.28g/mol
Molar mass
0.0000g/mol
Density
1.2400g/cm3
Appearence

The compound typically appears as a white solid powder.

Comment on solubility

Solubility of 5-(2-cyclohexylideneethyl)-5-ethyl-hexahydropyrimidine-2,4,6-trione

The solubility of the compound 5-(2-cyclohexylideneethyl)-5-ethyl-hexahydropyrimidine-2,4,6-trione can be intriguing yet complex due to its molecular structure. Several factors influence its solubility:

  • Polarity: The presence of functional groups in the compound can affect its overall polarity. Typically, compounds with polar functional groups are more soluble in polar solvents, while non-polar solvents dissolve non-polar compounds more readily.
  • Hydrogen Bonding: If the compound can form hydrogen bonds, it may exhibit increased solubility in water and alcohols. The potential for hydrogen bonding arises from the presence of electronegative atoms such as oxygen in the trione groups.
  • Size and Shape: The bulkiness introduced by the cyclohexyl and ethyl groups can hinder the solubility. Larger, more complex molecules often have reduced solubility in common solvents.
  • Temperature: Generally, increasing temperature can enhance the solubility of many compounds, although this is not universal and must be tested.

In summary, the solubility of 5-(2-cyclohexylideneethyl)-5-ethyl-hexahydropyrimidine-2,4,6-trione can be influenced by its polarity, potential for hydrogen bonding, structural characteristics, and external conditions such as temperature. Each of these elements plays a significant role in determining how well this compound can dissolve in various solvents.

Interesting facts

Interesting Facts about 5-(2-cyclohexylideneethyl)-5-ethyl-hexahydropyrimidine-2,4,6-trione

The compound 5-(2-cyclohexylideneethyl)-5-ethyl-hexahydropyrimidine-2,4,6-trione is an intriguing member of the pyrimidine family, notable for its structural complexity and diverse applications in both chemistry and medicinal fields.

Structural Characteristics

  • Pyrimidine Base: This compound contains a pyrimidine ring, which is a six-membered heterocyclic structure. Pyrimidines are essential in biology, forming the backbone of nucleic acids.
  • Functional Groups: The presence of the trione functional group indicates that this compound has three carbonyl (C=O) groups, contributing to its chemical reactivity.
  • Cyclohexylidene Moiety: The unique cyclohexylidene ethyl side chain adds hydrophobic characteristics, which can influence solubility and biological activity.

Applications and Relevance

This compound has potential applications that are fascinating:

  • Pharmaceutical Development: Compounds with pyrimidine structures are significant in drug development due to their role in antiviral and anticancer agents.
  • Chemical Reactivity: The combination of carbonyl groups may allow for various chemical reactions, making it a compound of interest for synthetic organic chemistry.
  • Research Potential: Investigating its properties could lead to better understanding in the fields of biochemistry and materials science.

In Summary

5-(2-cyclohexylideneethyl)-5-ethyl-hexahydropyrimidine-2,4,6-trione stands out due to its complex structure and the rich variety of functions that pyrimidine derivatives can perform. As chemistry students and scientists delve deeper into this compound, they may uncover innovative applications that could contribute to advancements in drug formulation and sustainable chemistry practices.

As always in science, the potential is vast, and the exploration of such compounds can lead to groundbreaking discoveries!

Synonyms
5-(2-Cyclohexylidene-ethyl)-5-ethylbarbiturate
22173-64-4
5-(2-Cyclohexylideneethyl)-5-ethylbarbituric acid
BTE6MU3YBG
CHEB
DTXSID60176710
5-(2-Cyclohexylideneethyl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
RefChem:101605
DTXCID8099201
BRN 0250312
5-(gamma,gamma-Cyclopentamethyleneallyl)-5-ethyl barbituric acid
Acide 5-(gamma,gamma-cyclopentamethylene-allyl) 5-ethyl barbiturique [French]
CHEMBL44981
SCHEMBL12648357
BARBITURIC ACID, 5-(2-CYCLOHEXYLIDENEETHYL)-5-ETHYL-
Acide 5-(gamma,gamma-cyclopentamethylene-allyl) 5-ethyl barbiturique
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-cyclohexylideneethyl)-5-ethyl-
5-(2-cyclohexylideneethyl)-5-ethyl barbituric acid