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2-[(3-fluoroanilino)-hydroxy-methylene]-3-oxo-butanenitrile

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Identification
Molecular formula
C11H7FN2O2
CAS number
56869-34-0
IUPAC name
2-[(3-fluoroanilino)-hydroxy-methylene]-3-oxo-butanenitrile
State
State

At room temperature, this compound exists as a crystalline solid. It is stable under standard conditions and remains in the solid form unless heated beyond its melting point.

Melting point (Celsius)
144.00
Melting point (Kelvin)
417.15
Boiling point (Celsius)
521.15
Boiling point (Kelvin)
794.15
General information
Molecular weight
220.19g/mol
Molar mass
220.1920g/mol
Density
1.3200g/cm3
Appearence

This compound typically presents as a solid with a crystalline structure that can appear in various colors ranging from yellow to brown, depending on its specific purification and synthesis conditions.

Comment on solubility

Solubility of 2-[(3-fluoroanilino)-hydroxy-methylene]-3-oxo-butanenitrile

The compound 2-[(3-fluoroanilino)-hydroxy-methylene]-3-oxo-butanenitrile, with the chemical formula C11H7FN2O2, exhibits specific solubility characteristics relevant to its functional groups and molecular structure. Understanding the solubility of this compound can be crucial for its application in chemical processes.

Factors Influencing Solubility:

  • Polarity: The presence of both hydroxy (-OH) and nitrile (-CN) groups contributes to the overall polarity of the molecule.
  • Hydrogen Bonding: The hydroxyl group allows for the formation of hydrogen bonds with polar solvents like water, potentially increasing solubility.
  • Size and Structure: The size of the aromatic and aliphatic segments can hinder solubility in some organic solvents compared to smaller or more symmetrical molecules.

Considering these factors, one could expect that:

  • It may be more soluble in polar solvents
  • Moderate solubility could be anticipated in non-polar solvents due to the hydrophobic regions of the molecule

In practice, the solubility of this compound might be described as:

"A delicate balance between hydrophilic and hydrophobic interactions determines its behavior in various solvents."

Ultimately, enhanced solubility would likely be observed in mixtures that favor polar interactions, which is essential for its potential uses in chemical reactions and formulations.

Interesting facts

Interesting Facts about 2-[(3-fluoroanilino)-hydroxy-methylene]-3-oxo-butanenitrile

This intriguing compound belongs to a class of chemical compounds known for their versatility in synthetic chemistry. Often referred to as a potential building block in drug discovery, it showcases properties that have captured the attention of researchers and pharmaceutical scientists worldwide.

Notable Characteristics:

  • Functional Groups: This compound features multiple functional groups, including a hydroxy group, which can participate in hydrogen bonding, enhancing its reactivity and potential uses in various chemical reactions.
  • Fluorine Substitution: The presence of fluorine in the structure can significantly affect the compound's biological activity, as fluorinated compounds often exhibit improved pharmacokinetic properties, making them vital in drug development.
  • Nitrile Group: The nitrile group (–C≡N) is known for its ability to participate in nucleophilic reactions, adding to the compound's versatility in synthesis.

Applications:

2-[(3-fluoroanilino)-hydroxy-methylene]-3-oxo-butanenitrile has a promising future in the realm of medicinal chemistry:

  • Drug Development: Due to its structural motifs, this compound could serve as a lead compound in the development of novel therapeutic agents.
  • Research Tool: It may be utilized in biochemical assays to investigate the mechanisms of action of specific enzymes or receptors.

As Robert H. Grubbs once said, “You can make a lot of things with the right synthetic pathways.” This compound exemplifies that sentiment, opening doors to innovative synthetic methodologies and allowing scientists to explore new avenues in chemical research.

Understanding such compounds not only enhances our knowledge of organic chemistry but also contributes to advancements in fields such as pharmacology and materials science. The intricate balance of structure and functionality in compounds like 2-[(3-fluoroanilino)-hydroxy-methylene]-3-oxo-butanenitrile is what makes the study of chemistry both challenging and rewarding.