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Identification
Molecular formula
C22H26N2O5
CAS number
Not Available
IUPAC name
[4-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)cyclohexyl] benzoate
State
State

At room temperature, [4-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)cyclohexyl] benzoate is typically found in a solid state. It is a stable compound under normal ambient conditions.

Melting point (Celsius)
132.00
Melting point (Kelvin)
405.15
Boiling point (Celsius)
320.00
Boiling point (Kelvin)
593.15
General information
Molecular weight
421.53g/mol
Molar mass
421.5310g/mol
Density
1.1900g/cm3
Appearence

The compound typically appears as a crystalline solid. The exact color may vary based on purity and preparation method, but it is generally off-white to pale yellow.

Comment on solubility

Solubility of [4-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)cyclohexyl] benzoate

The solubility of [4-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)cyclohexyl] benzoate can be influenced by several factors, due to its complex structure. Generally, its solubility is characterized by the following aspects:

  • Polarity: The presence of both the cyclohexyl group and the benzoate moiety can affect the overall polarity of the compound, potentially leading to varying solubility in polar and non-polar solvents.
  • Hydrophobic interactions: The butyl side chain increases hydrophobic character, which may enhance solubility in organic solvents such as ethanol, chloroform, or dichloromethane.
  • Temperature dependence: Like many organic compounds, solubility may increase with temperature, allowing for better dissolution in certain solvents at elevated temperatures.
  • pH sensitivity: Being a benzoate derivative, solubility could also depend on the pH of the solution, potentially making it more soluble in alkaline conditions due to ionization.

In conclusion, understanding the solubility of this compound requires careful consideration of its structural features and the conditions of the solvent system. As always, conducting experimental measurements would provide the most accurate insights into its solubility characteristics.

Interesting facts

Interesting Facts about [4-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)cyclohexyl] benzoate

[4-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)cyclohexyl] benzoate is a fascinating compound that showcases the intriguing intersection of organic synthesis and medicinal chemistry. Here are some notable aspects of this compound:

  • Unique Structure: The compound features a cyclohexyl ring linked to a benzoate moiety, resulting in an interesting hybrid structure that can lead to unique chemical properties.
  • Potential Biological Activity: Compounds with pyrimidine derivatives have been extensively studied for their biological activities, including antiviral and anticancer properties. This compound may exhibit similar therapeutic potential.
  • Synthetic Versatility: The presence of multiple functional groups allows for further modifications, making it an excellent candidate for a range of synthetic applications.
  • Applications in Drug Discovery: This compound may serve as a lead structure in drug discovery programs aimed at developing new pharmaceuticals.
  • Molecular Connectivity: The integration of different moieties not only enhances potential biological activities but also affects the physicochemical properties, which are critical for drug design and efficacy.

The exploration of compounds like [4-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)cyclohexyl] benzoate plays a crucial role in expanding our understanding of medicinal chemistry. As one chemist aptly puts it, "Every compound holds a story, waiting to be discovered." The continuing research in this area underlines the importance of synthesizing novel compounds that could one day lead to breakthroughs in treatment methodologies.

Synonyms
21330-98-3
DTXSID20943889
4-(5-Butyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl benzoate
BRN 0719798
1-(4-Benzoyloxycyclohexyl)-5-butylbarbituric acid
RefChem:1069999
DTXCID601372248
5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid benzoate (ester)
1-(4-Benzoyloxycyclohexyl)-5-butylperhydropyrimidine-2,4,5-trione
BARBITURIC ACID, 5-BUTYL-1-(4-HYDROXYCYCLOHEXYL)-, BENZOATE (ester)