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DEET

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Identification
Molecular formula
C12H17NO
CAS number
134-62-3
IUPAC name
1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ium-4-yl-butan-2-one;4-hydroxy-4-oxo-but-2-enoate
State
State

DEET is typically found in a liquid state at room temperature due to its relatively low melting point. It is often used in liquid formulations as it is a major component in many insect repellent products.

Melting point (Celsius)
-45.00
Melting point (Kelvin)
228.00
Boiling point (Celsius)
288.00
Boiling point (Kelvin)
561.00
General information
Molecular weight
191.27g/mol
Molar mass
191.2700g/mol
Density
0.9920g/cm3
Appearence

DEET is a colorless to slightly yellow liquid. It is oily in consistency and has a faint odor characteristic of the chemical family it belongs to.

Comment on solubility

Solubility Characteristics of 1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ium-4-yl-butan-2-one; 4-hydroxy-4-oxo-but-2-enoate

The solubility of the compound 1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ium-4-yl-butan-2-one; 4-hydroxy-4-oxo-but-2-enoate demonstrates interesting behavior due to its unique structural components and functional groups. Several factors influence its solubility:

  • Polarity: The presence of polar functional groups, such as the morpholinium ion and hydroxyl group, enhances solubility in polar solvents, particularly water.
  • Hydrogen Bonding: This compound can engage in hydrogen bonding due to its hydroxyl group, which can lead to increased solubility in aqueous solutions.
  • Hydrophobic Regions: The benzoyl and pyrrole parts of the molecule may contribute to a degree of hydrophobicity, which can affect solubility in nonpolar solvents.

Overall, the solubility is likely to be moderate in polar solvents and may be significantly lower in nonpolar solvents due to the conflicting tendencies of hydrophilic and hydrophobic portions. In summary:

  1. In water: Likely to be soluble due to polar groups
  2. In organic solvents: Solubility may be limited

Thus, while predicting the precise solubility requires further experimental data, the compound’s structural features suggest a solubility profile shaped by its balance of polar and nonpolar characteristics, making it versatile for applications in various chemical environments.

Interesting facts

Interesting Facts about 1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ium-4-yl-butan-2-one; 4-hydroxy-4-oxo-but-2-enoate

This compound presents an intriguing example of organic chemistry, exhibiting properties that are of interest to researchers in medicinal chemistry and drug design. Here are some compelling points about it:

  • Structural Diversity: This compound's structure incorporates multiple functional groups, including a benzoyl group, pyrrole system, and a morpholinium ion, which can significantly influence its chemical reactivity and biological activity.
  • Potential Biological Activity: The combination of a morpholinium ion and a pyrrole derivative opens possibilities for interactions with biological macromolecules, making it a candidate for studying antimicrobial or antitumor properties.
  • Pharmaceutical Applications: Due to its unique structural motifs, this compound could be explored for potential applications in drug development, particularly as a scaffold for synthesizing new therapeutic agents.
  • Synthetic Routes: The synthesis of such complex compounds often involves multi-step organic reactions, providing a platform for students and researchers to explore green chemistry approaches in reducing waste and improving efficiency.

To quote a famous chemist, "Chemistry is not just a science; it is a world of possibilities." This compound epitomizes this sentiment, offering insights into the intricate dance between structure and function in organic molecules.

In summary, 1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ium-4-yl-butan-2-one; 4-hydroxy-4-oxo-but-2-enoate serves as a fascinating case study where chemistry meets creativity, inspiring ongoing research and exploration in the scientific community.