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[5-oxo-4-(3-oxobutyl)-1,2-diphenyl-pyrazol-3-yl] 3,4,5-trimethoxybenzoate

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Identification
Molecular formula
C28H26N2O6
CAS number
83423-64-5
IUPAC name
[5-oxo-4-(3-oxobutyl)-1,2-diphenyl-pyrazol-3-yl] 3,4,5-trimethoxybenzoate
State
State

The compound is a solid at room temperature. It generally appears as a crystalline powder and due to its molecular weight and structure, it remains stable under standard conditions without sublimation or decomposition.

Melting point (Celsius)
156.00
Melting point (Kelvin)
429.15
Boiling point (Celsius)
502.00
Boiling point (Kelvin)
775.00
General information
Molecular weight
459.52g/mol
Molar mass
459.4810g/mol
Density
1.2567g/cm3
Appearence

The compound is typically encountered as a solid. It forms crystals that can be white or slightly off-white in color. It is not soluble in water, but it may dissolve in organic solvents like ethanol and methanol.

Comment on solubility

Solubility of [5-oxo-4-(3-oxobutyl)-1,2-diphenyl-pyrazol-3-yl] 3,4,5-trimethoxybenzoate

The solubility of complex organic compounds, such as [5-oxo-4-(3-oxobutyl)-1,2-diphenyl-pyrazol-3-yl] 3,4,5-trimethoxybenzoate, can often be challenging to assess without empirical data. However, we can consider several factors that typically influence its solubility:

  • Molecular Structure: The presence of functional groups, like the trimethoxy group and the oxo and pyrazol structures, can affect how well the compound dissolves in various solvents.
  • Polarity: Generally, compounds with more polar regions tend to have better solubility in polar solvents (like water), whereas non-polar regions favor solubility in non-polar solvents (like organic solvents).
  • Hydrogen Bonding: The ability of the compound to participate in hydrogen bonding with solvents can significantly enhance solubility.
  • Temperature: Increasing the temperature often increases solubility, especially for solid solutes.

While specific solubility data for this compound may not be readily available, one might expect that due to the complex molecular framework, it has limited solubility in water but could be more soluble in organic solvents such as dimethyl sulfoxide (DMSO) or ethanol. As always, conducting experimental solubility tests is essential for confirming these theoretical predictions.

Interesting facts

Interesting Facts about [5-oxo-4-(3-oxobutyl)-1,2-diphenyl-pyrazol-3-yl] 3,4,5-trimethoxybenzoate

This compound is a fascinating member of the pyrazole class, known for its rich structural diversity and biological activity. Here are some notable points about it:

  • Structural Complexity: The compound features a unique fusion of pyrazole and benzoate moieties, presenting an intriguing structure that can lead to interesting pharmacological properties.
  • Biological Relevance: Compounds of this kind are often studied for their potential use as pharmaceuticals, especially due to the presence of the pyrazole ring, which is recognized for various biological activities including anti-inflammatory and anti-tumor effects.
  • Functional Groups: The incorporation of the trimethoxy group contributes to the compound's lipophilicity, which can influence its ability to cross biological membranes, thus affecting its bioavailability and pharmacokinetics.
  • Synthetic Pathways: The synthesis of such complex molecules often involves multi-step reactions, showcasing the creativity and precision of synthetic organic chemists.
  • Research Potential: This compound has the potential to be explored for its role in drug design and discovery, particularly within the context of targeted therapies.

As a chemistry student, one might find it exciting to explore the synthesis and reactivity of this compound in the laboratory, opening doors to understanding how slight modifications in structure can yield significantly different properties and biological activity. The study of such compounds enriches our knowledge of medicinal chemistry and can lead to the development of new therapeutic agents.

In summary, [5-oxo-4-(3-oxobutyl)-1,2-diphenyl-pyrazol-3-yl] 3,4,5-trimethoxybenzoate not only serves as a testament to the ingenuity of chemical synthesis but also as a promising candidate for future medicinal applications.

Synonyms
BRN 0870258
16006-75-0
Benzoic acid, 3,4,5-trimethoxy-, ester with 1,2-diphenyl-3-hydroxy-4-(3-oxobutyl)-3-pyrazolin-5-one
3,4,5-Trimethoxybenzoate de gamma-ceto-phenylbutazone [French]
DTXSID00166796
3,4,5-Trimethoxybenzoate de gamma-ceto-phenylbutazone
DTXCID9089287
gamma -Hydroxy Phenylbutazone
[5-oxo-4-(3-oxobutyl)-1,2-diphenylpyrazol-3-yl] 3,4,5-trimethoxybenzoate