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Danusertib

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Identification
Molecular formula
C16H13F3N2O3
CAS number
862238-36-4
IUPAC name
2-[hydroxy-[4-(trifluoromethoxy)anilino]methylene]-3-oxo-butanenitrile
State
State

At room temperature, Danusertib is a solid. It is generally stable under normal laboratory conditions and is used primarily in a powdered form for scientific research and study, especially in pharmacological contexts.

Melting point (Celsius)
241.00
Melting point (Kelvin)
514.15
Boiling point (Celsius)
470.00
Boiling point (Kelvin)
743.15
General information
Molecular weight
434.36g/mol
Molar mass
434.3600g/mol
Density
1.5000g/cm3
Appearence

Danusertib typically appears as a fine powder. The color can range from pale yellow to off-white, illustrating its high purity and consistency for research purposes.

Comment on solubility

Solubility of 2-[hydroxy-[4-(trifluoromethoxy)anilino]methylene]-3-oxo-butanenitrile

The solubility of the compound with the formula C16H13F3N2O3 is an intriguing aspect that can greatly influence its applications and behavior in various environments. Here are some key points to consider regarding its solubility:

  • Polarity: The presence of functional groups such as the hydroxyl (–OH) and trifluoromethoxy (–OCHF3) impacts the polarity of the molecule. This may lead to enhanced solubility in polar solvents.
  • Hydrogen Bonding: The hydroxy group can participate in hydrogen bonding, potentially increasing solubility in water compared to compounds lacking such groups.
  • Influence of Fluorine: The trifluoromethoxy group is known for its influence on solubility profiles due to the electronegativity of fluorine, which can affect interactions with solvents.
  • Solvent Dependency: Solubility can vary significantly depending on the nature of the solvent. For example, it may be soluble in organic solvents like ethanol or dimethyl sulfoxide (DMSO).

In conclusion, while specific solubility data may not be readily available, understanding the factors that influence the solubility of C16H13F3N2O3 can provide insights for scientists seeking to utilize this compound in various chemical and pharmaceutical applications.

Interesting facts

Interesting Facts About 2-[hydroxy-[4-(trifluoromethoxy)anilino]methylene]-3-oxo-butanenitrile

This compound is a fascinating molecule that brings together various functional groups with unique properties. Here are some interesting insights:

  • Fluorine's Influence: The presence of trifluoromethoxy groups in this compound significantly affects its chemical behavior. Fluorine atoms attract electron density, which can enhance the reactivity and alter the interactions with biological systems.
  • Medical Potential: Compounds featuring anilino groups have found applications in pharmaceuticals, acting as intermediates in drug design. This compound’s structure may serve as a scaffold for developing novel therapeutic agents.
  • Environmental Impact: The trifluoromethoxy moiety can contribute to the persistence of this compound in the environment, raising questions about its degradation and bioaccumulation, making it essential for researchers to study its ecological effects.
  • Versatile Chemistry: This compound can undergo various chemical reactions, such as nucleophilic substitutions and cross-coupling reactions, providing opportunities for synthetic chemists to explore new derivatives.
  • Reflection of Synthetic Challenges: The synthesis of such a compound often involves multiple steps and careful conditions. It's a testament to the ingenuity of chemical synthesis and the ability of chemists to manipulate complex molecular architectures.

In conclusion, 2-[hydroxy-[4-(trifluoromethoxy)anilino]methylene]-3-oxo-butanenitrile stands out not only for its intricate structure but also for its implications in various fields such as medicinal chemistry, environmental science, and synthetic methodology. Its diverse properties and potential applications continue to capture the attention of scientists and researchers alike.